REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1z02_1_B DATA FIRST_RESID 16 DATA SEQUENCE ISDARANNAK TQSQYQPYKD AAWGFINHWY PALFTHELEE DQVQGIQICG DATA SEQUENCE VPIVLRRVNG KVFALKDQCL HRGVRLSEKP TCFTKSTISC WYHGFTFDLE DATA SEQUENCE TGKLVTIVAN PEDKLIGTTG VTTYPVHEVN GMIFVFVRED DFPDEDVPPL DATA SEQUENCE AHDLPFRFPE RSEQFPHPLW PSSPSVLDDN AVVHGMHRTG FGNWRIACEN DATA SEQUENCE GFDNAHILVH KDNTIVHAMD WVLPLGLLPT SDDCIAVVED DDGPKGMMQW DATA SEQUENCE LFTDKWAPVL ENQELGLKVE GLKGRHYRTS VVLPGVLMVE NWPEEHVVQY DATA SEQUENCE EWYVPITDDT HEYWEILVRV CPTDEDRKKF QYRYDHMYKP LCLHGFNDSD DATA SEQUENCE LYAREAMQNF YYDGTGWDDE QLVATDISPI TWRKLASRWN RGIAKPGRGV DATA SEQUENCE AGAVKDTSLI FKQTADGKRP GYKVEQI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 nan 4.170 nan 0.000 0.288 16 I C 0.000 176.131 176.117 0.023 0.000 1.063 16 I CA 0.000 61.317 61.300 0.028 0.000 1.566 16 I CB 0.000 38.019 38.000 0.032 0.000 1.214 17 S N 2.978 118.693 115.700 0.024 0.000 2.545 17 S HA 0.239 4.710 4.470 0.001 0.000 0.275 17 S C 0.637 175.251 174.600 0.024 0.000 1.299 17 S CA -0.276 57.937 58.200 0.021 0.000 1.048 17 S CB 0.925 64.136 63.200 0.018 0.000 0.938 17 S HN 0.556 nan 8.310 nan 0.000 0.496 18 D N 3.531 123.943 120.400 0.020 0.000 2.378 18 D HA 0.100 4.741 4.640 0.001 0.000 0.227 18 D C 1.501 177.815 176.300 0.022 0.000 1.012 18 D CA 0.840 54.853 54.000 0.020 0.000 0.905 18 D CB -0.146 40.663 40.800 0.016 0.000 0.895 18 D HN 0.565 nan 8.370 nan 0.000 0.532 19 A N 0.755 123.589 122.820 0.023 0.000 2.251 19 A HA 0.014 4.334 4.320 0.001 0.000 0.209 19 A C 1.066 178.669 177.584 0.031 0.000 1.187 19 A CA -0.289 51.762 52.037 0.024 0.000 0.823 19 A CB -0.330 18.681 19.000 0.019 0.000 0.846 19 A HN 0.225 nan 8.150 nan 0.000 0.486 20 R N -1.232 119.290 120.500 0.037 0.000 2.694 20 R HA 0.527 4.868 4.340 0.001 0.000 0.268 20 R C 0.923 177.257 176.300 0.056 0.000 1.061 20 R CA 0.312 56.441 56.100 0.048 0.000 1.133 20 R CB 0.539 30.873 30.300 0.057 0.000 1.020 20 R HN -0.029 nan 8.270 nan 0.000 0.475 21 A N 2.623 125.483 122.820 0.068 0.000 1.969 21 A HA -0.192 4.128 4.320 0.001 0.000 0.218 21 A C 0.903 178.544 177.584 0.096 0.000 1.169 21 A CA 1.279 53.362 52.037 0.077 0.000 0.635 21 A CB -0.904 18.147 19.000 0.085 0.000 0.810 21 A HN 0.962 nan 8.150 nan 0.000 0.445 22 N N 1.255 120.025 118.700 0.117 0.000 3.124 22 N HA 0.091 4.832 4.740 0.001 0.000 0.284 22 N C -0.231 175.333 175.510 0.091 0.000 1.209 22 N CA -0.223 52.915 53.050 0.147 0.000 1.149 22 N CB -0.373 38.250 38.487 0.227 0.000 1.434 22 N HN 0.703 nan 8.380 nan 0.000 0.529 23 N N 0.058 118.792 118.700 0.057 0.000 2.381 23 N HA 0.132 4.873 4.740 0.001 0.000 0.254 23 N C 1.089 176.599 175.510 0.000 0.000 1.264 23 N CA -0.568 52.499 53.050 0.029 0.000 0.942 23 N CB 0.757 39.258 38.487 0.023 0.000 1.190 23 N HN 0.230 nan 8.380 nan 0.000 0.495 24 A N 0.682 123.498 122.820 -0.007 0.000 1.903 24 A HA -0.273 4.048 4.320 0.001 0.000 0.219 24 A C 2.199 179.749 177.584 -0.057 0.000 1.191 24 A CA 1.544 53.564 52.037 -0.029 0.000 0.638 24 A CB -0.781 18.209 19.000 -0.017 0.000 0.823 24 A HN 0.788 nan 8.150 nan 0.000 0.451 25 K N -0.740 119.636 120.400 -0.040 0.000 2.026 25 K HA -0.127 4.194 4.320 0.001 0.000 0.208 25 K C 2.063 178.615 176.600 -0.079 0.000 1.048 25 K CA 2.140 58.399 56.287 -0.047 0.000 0.929 25 K CB -0.858 31.630 32.500 -0.021 0.000 0.713 25 K HN 0.487 nan 8.250 nan 0.000 0.439 26 T N 1.870 116.384 114.554 -0.065 0.000 2.746 26 T HA -0.125 4.225 4.350 0.001 0.000 0.267 26 T C 1.944 176.438 174.700 -0.345 0.000 1.039 26 T CA 1.348 63.399 62.100 -0.081 0.000 1.142 26 T CB -0.084 68.804 68.868 0.033 0.000 0.866 26 T HN 0.394 nan 8.240 nan 0.000 0.444 27 Q N 1.044 120.614 119.800 -0.384 0.000 2.170 27 Q HA -0.095 4.245 4.340 0.001 0.000 0.203 27 Q C 2.649 178.264 176.000 -0.642 0.000 0.976 27 Q CA 1.614 56.974 55.803 -0.738 0.000 0.858 27 Q CB -0.309 28.274 28.738 -0.259 0.000 0.907 27 Q HN 0.654 nan 8.270 nan 0.000 0.433 28 S N 0.126 115.635 115.700 -0.318 0.000 2.507 28 S HA -0.128 4.343 4.470 0.001 0.000 0.235 28 S C 1.563 176.055 174.600 -0.180 0.000 0.988 28 S CA 0.680 58.764 58.200 -0.194 0.000 0.944 28 S CB -0.017 63.118 63.200 -0.109 0.000 0.762 28 S HN 0.341 nan 8.310 nan 0.000 0.526 29 Q N 0.093 119.748 119.800 -0.242 0.000 2.403 29 Q HA 0.100 4.441 4.340 0.001 0.000 0.203 29 Q C -0.196 175.802 176.000 -0.003 0.000 0.932 29 Q CA 0.391 56.132 55.803 -0.104 0.000 0.945 29 Q CB 0.065 28.779 28.738 -0.040 0.000 1.045 29 Q HN 1.055 nan 8.270 nan 0.000 0.511 30 Y N -3.447 116.863 120.300 0.015 0.000 2.685 30 Y HA 0.383 4.933 4.550 0.001 0.000 0.257 30 Y C 1.127 177.061 175.900 0.058 0.000 1.053 30 Y CA -0.737 57.376 58.100 0.022 0.000 1.106 30 Y CB -0.509 37.937 38.460 -0.024 0.000 1.193 30 Y HN -0.177 nan 8.280 nan 0.000 0.602 31 Q N 2.422 122.284 119.800 0.104 0.000 2.124 31 Q HA 0.015 4.356 4.340 0.001 0.000 0.202 31 Q C -1.031 175.028 176.000 0.099 0.000 0.977 31 Q CA 2.032 57.882 55.803 0.077 0.000 0.850 31 Q CB -0.965 27.780 28.738 0.012 0.000 0.901 31 Q HN 0.376 nan 8.270 nan 0.000 0.429 32 P HA -0.149 nan 4.420 nan 0.000 0.216 32 P C 0.544 177.967 177.300 0.205 0.000 1.150 32 P CA 1.094 64.286 63.100 0.153 0.000 0.837 32 P CB -0.231 31.566 31.700 0.161 0.000 0.786 33 Y N 0.995 121.355 120.300 0.100 0.000 2.200 33 Y HA -0.129 4.422 4.550 0.001 0.000 0.290 33 Y C 1.953 177.673 175.900 -0.300 0.000 1.137 33 Y CA 1.609 59.713 58.100 0.006 0.000 1.163 33 Y CB -0.284 38.154 38.460 -0.037 0.000 0.988 33 Y HN -0.196 nan 8.280 nan 0.000 0.518 34 K N -0.273 120.055 120.400 -0.120 0.000 2.147 34 K HA -0.155 4.165 4.320 0.001 0.000 0.205 34 K C 1.082 177.418 176.600 -0.440 0.000 1.049 34 K CA 1.459 57.468 56.287 -0.464 0.000 0.936 34 K CB -0.104 32.310 32.500 -0.144 0.000 0.722 34 K HN 0.344 nan 8.250 nan 0.000 0.446 35 D N 0.260 120.532 120.400 -0.213 0.000 2.347 35 D HA -0.014 4.627 4.640 0.001 0.000 0.213 35 D C 0.534 176.748 176.300 -0.142 0.000 0.985 35 D CA 0.380 54.297 54.000 -0.138 0.000 0.879 35 D CB 0.277 41.056 40.800 -0.035 0.000 0.919 35 D HN 0.100 nan 8.370 nan 0.000 0.526 36 A N 0.372 123.032 122.820 -0.267 0.000 3.105 36 A HA 0.526 4.846 4.320 0.001 0.000 0.272 36 A C 1.800 179.280 177.584 -0.173 0.000 1.466 36 A CA 0.220 52.090 52.037 -0.277 0.000 1.101 36 A CB -0.314 18.277 19.000 -0.683 0.000 1.065 36 A HN 0.085 nan 8.150 nan 0.000 0.643 37 A N -0.352 122.399 122.820 -0.115 0.000 1.940 37 A HA -0.155 4.166 4.320 0.001 0.000 0.219 37 A C 1.503 179.125 177.584 0.064 0.000 1.176 37 A CA 1.290 53.282 52.037 -0.076 0.000 0.631 37 A CB -0.627 18.312 19.000 -0.100 0.000 0.814 37 A HN 0.800 nan 8.150 nan 0.000 0.446 38 W N -0.635 120.678 121.300 0.021 0.000 3.180 38 W HA 0.399 5.059 4.660 0.001 0.000 0.254 38 W C 1.254 177.708 176.519 -0.110 0.000 1.318 38 W CA 1.214 58.559 57.345 -0.000 0.000 1.608 38 W CB -0.292 29.150 29.460 -0.030 0.000 1.124 38 W HN 0.702 nan 8.180 nan 0.000 0.694 39 G N -0.493 108.321 108.800 0.024 0.000 2.612 39 G HA2 -0.177 3.783 3.960 0.001 0.000 0.686 39 G HA3 -0.177 3.783 3.960 0.001 0.000 0.686 39 G C -1.021 173.705 174.900 -0.290 0.000 1.274 39 G CA -1.387 43.465 45.100 -0.414 0.000 0.849 39 G HN -0.055 nan 8.290 nan 0.000 0.595 40 F N 0.293 120.169 119.950 -0.124 0.000 2.411 40 F HA 0.605 5.133 4.527 0.001 0.000 0.355 40 F C 1.207 177.069 175.800 0.104 0.000 1.117 40 F CA -0.619 57.394 58.000 0.021 0.000 1.139 40 F CB 1.289 40.252 39.000 -0.060 0.000 1.120 40 F HN 0.559 nan 8.300 nan 0.000 0.493 41 I N 3.526 124.258 120.570 0.270 0.000 2.783 41 I HA 0.295 4.466 4.170 0.001 0.000 0.312 41 I C -0.022 176.081 176.117 -0.024 0.000 0.988 41 I CA -0.401 60.954 61.300 0.093 0.000 1.182 41 I CB 0.981 38.978 38.000 -0.006 0.000 1.368 41 I HN 0.815 nan 8.210 nan 0.000 0.511 42 N N 2.153 120.598 118.700 -0.424 0.000 2.814 42 N HA -0.180 4.561 4.740 0.001 0.000 0.247 42 N C -1.338 173.553 175.510 -1.032 0.000 1.089 42 N CA 0.214 52.668 53.050 -0.992 0.000 0.682 42 N CB -1.299 36.742 38.487 -0.743 0.000 0.970 42 N HN 0.570 nan 8.380 nan 0.000 0.554 43 H N -1.754 116.803 119.070 -0.856 0.000 2.980 43 H HA 0.447 5.003 4.556 0.001 0.000 0.367 43 H C -0.959 174.081 175.328 -0.480 0.000 1.206 43 H CA -0.440 55.348 56.048 -0.433 0.000 1.126 43 H CB 0.756 30.336 29.762 -0.303 0.000 1.838 43 H HN 0.145 nan 8.280 nan 0.000 0.552 44 W N 1.871 123.177 121.300 0.011 0.000 2.316 44 W HA 0.399 5.060 4.660 0.001 0.000 0.311 44 W C -0.852 175.533 176.519 -0.223 0.000 1.217 44 W CA 0.051 57.418 57.345 0.036 0.000 1.199 44 W CB 0.427 29.914 29.460 0.046 0.000 1.202 44 W HN 0.385 nan 8.180 nan 0.000 0.528 45 Y N 2.844 123.284 120.300 0.233 0.000 2.553 45 Y HA 0.385 4.936 4.550 0.001 0.000 0.347 45 Y C -2.041 173.659 175.900 -0.333 0.000 1.019 45 Y CA -3.104 54.951 58.100 -0.075 0.000 1.032 45 Y CB 1.636 39.987 38.460 -0.182 0.000 1.284 45 Y HN 0.141 nan 8.280 nan 0.000 0.466 46 P HA 0.207 nan 4.420 nan 0.000 0.276 46 P C -0.451 176.265 177.300 -0.972 0.000 1.235 46 P CA 0.207 62.299 63.100 -1.679 0.000 0.772 46 P CB 1.530 31.327 31.700 -3.171 0.000 0.871 47 A N 4.333 126.807 122.820 -0.577 0.000 1.938 47 A HA 0.364 4.684 4.320 0.001 0.000 0.207 47 A C 0.454 178.090 177.584 0.086 0.000 1.292 47 A CA 0.983 52.944 52.037 -0.126 0.000 0.700 47 A CB -0.144 18.808 19.000 -0.079 0.000 0.947 47 A HN 0.496 nan 8.150 nan 0.000 0.476 48 L N -2.131 119.093 121.223 0.002 0.000 2.540 48 L HA 0.458 4.799 4.340 0.001 0.000 0.256 48 L C -1.309 175.549 176.870 -0.021 0.000 1.001 48 L CA -0.867 54.020 54.840 0.078 0.000 0.843 48 L CB 1.882 43.969 42.059 0.048 0.000 1.436 48 L HN 0.288 nan 8.230 nan 0.000 0.410 49 F N -0.175 119.791 119.950 0.026 0.000 2.410 49 F HA 0.136 4.664 4.527 0.001 0.000 0.334 49 F C 1.750 177.411 175.800 -0.231 0.000 1.134 49 F CA 0.124 58.023 58.000 -0.168 0.000 1.227 49 F CB 1.285 39.962 39.000 -0.538 0.000 1.194 49 F HN 0.534 nan 8.300 nan 0.000 0.571 50 T N -0.018 114.580 114.554 0.075 0.000 2.720 50 T HA -0.281 4.070 4.350 0.001 0.000 0.268 50 T C 1.740 176.471 174.700 0.052 0.000 1.037 50 T CA 2.194 64.327 62.100 0.056 0.000 1.144 50 T CB -0.615 68.307 68.868 0.091 0.000 0.864 50 T HN 0.704 nan 8.240 nan 0.000 0.444 51 H N 0.995 120.150 119.070 0.143 0.000 2.543 51 H HA 0.116 4.672 4.556 0.001 0.000 0.286 51 H C 1.584 176.969 175.328 0.096 0.000 1.037 51 H CA 1.083 57.184 56.048 0.089 0.000 1.250 51 H CB -0.498 29.287 29.762 0.039 0.000 1.373 51 H HN 0.420 nan 8.280 nan 0.000 0.580 52 E N -0.266 119.934 120.200 -0.000 0.000 2.479 52 E HA 0.147 4.497 4.350 0.001 0.000 0.193 52 E C -0.517 176.130 176.600 0.079 0.000 1.049 52 E CA -0.052 56.406 56.400 0.097 0.000 0.870 52 E CB 0.462 30.204 29.700 0.071 0.000 0.944 52 E HN 0.263 nan 8.360 nan 0.000 0.492 53 L N 1.558 122.823 121.223 0.069 0.000 2.529 53 L HA 0.231 4.571 4.340 0.001 0.000 0.258 53 L C -0.713 176.198 176.870 0.068 0.000 1.032 53 L CA -0.155 54.722 54.840 0.062 0.000 0.899 53 L CB 1.175 43.265 42.059 0.051 0.000 1.174 53 L HN -0.174 nan 8.230 nan 0.000 0.458 54 E N 0.879 121.119 120.200 0.068 0.000 2.359 54 E HA 0.237 4.588 4.350 0.001 0.000 0.255 54 E C -0.546 176.089 176.600 0.059 0.000 1.191 54 E CA -0.820 55.618 56.400 0.064 0.000 0.952 54 E CB 0.789 30.524 29.700 0.059 0.000 1.152 54 E HN 0.411 nan 8.360 nan 0.000 0.496 55 E N 1.092 121.326 120.200 0.056 0.000 2.529 55 E HA -0.141 4.210 4.350 0.001 0.000 0.259 55 E C -0.681 175.950 176.600 0.052 0.000 0.966 55 E CA 0.597 57.031 56.400 0.057 0.000 0.937 55 E CB -0.032 29.698 29.700 0.051 0.000 0.923 55 E HN 0.435 nan 8.360 nan 0.000 0.468 56 D N 1.643 122.078 120.400 0.059 0.000 3.046 56 D HA -0.230 4.411 4.640 0.001 0.000 0.210 56 D C -0.510 175.814 176.300 0.040 0.000 1.124 56 D CA 1.191 55.219 54.000 0.047 0.000 0.986 56 D CB -0.926 39.893 40.800 0.033 0.000 1.118 56 D HN 0.689 nan 8.370 nan 0.000 0.416 57 Q N 0.216 120.044 119.800 0.047 0.000 2.259 57 Q HA 0.461 4.801 4.340 0.001 0.000 0.249 57 Q C -0.704 175.323 176.000 0.046 0.000 0.914 57 Q CA -0.364 55.463 55.803 0.039 0.000 0.904 57 Q CB 1.385 30.148 28.738 0.042 0.000 1.213 57 Q HN 0.009 nan 8.270 nan 0.000 0.428 58 V N 3.364 123.298 119.914 0.033 0.000 2.540 58 V HA 0.389 4.510 4.120 0.001 0.000 0.302 58 V C -0.866 175.241 176.094 0.021 0.000 1.035 58 V CA -0.661 61.662 62.300 0.038 0.000 0.873 58 V CB 1.746 33.592 31.823 0.038 0.000 0.992 58 V HN 0.794 nan 8.190 nan 0.000 0.428 59 Q N 2.382 122.193 119.800 0.018 0.000 2.315 59 Q HA 0.708 5.049 4.340 0.001 0.000 0.273 59 Q C -0.472 175.507 176.000 -0.035 0.000 1.053 59 Q CA -0.136 55.660 55.803 -0.012 0.000 0.817 59 Q CB 2.266 30.996 28.738 -0.013 0.000 1.326 59 Q HN 0.926 nan 8.270 nan 0.000 0.423 60 G N 3.418 112.180 108.800 -0.064 0.000 2.388 60 G HA2 0.714 4.674 3.960 0.001 0.000 0.330 60 G HA3 0.714 4.674 3.960 0.001 0.000 0.330 60 G C -0.604 174.172 174.900 -0.207 0.000 1.142 60 G CA -0.466 44.580 45.100 -0.090 0.000 0.908 60 G HN 0.788 nan 8.290 nan 0.000 0.473 61 I N -1.859 118.557 120.570 -0.256 0.000 3.509 61 I HA 0.805 4.976 4.170 0.001 0.000 0.311 61 I C -1.268 174.683 176.117 -0.277 0.000 1.178 61 I CA -1.362 59.651 61.300 -0.477 0.000 0.963 61 I CB 2.452 40.065 38.000 -0.646 0.000 1.352 61 I HN 0.473 nan 8.210 nan 0.000 0.482 62 Q N 1.362 121.029 119.800 -0.222 0.000 2.281 62 Q HA 0.681 5.021 4.340 0.001 0.000 0.263 62 Q C -2.184 173.830 176.000 0.023 0.000 0.989 62 Q CA -0.532 55.233 55.803 -0.064 0.000 0.852 62 Q CB 2.828 31.562 28.738 -0.007 0.000 1.337 62 Q HN 0.716 nan 8.270 nan 0.000 0.418 63 I N 2.330 122.844 120.570 -0.094 0.000 2.569 63 I HA 0.299 4.470 4.170 0.001 0.000 0.290 63 I C -0.133 175.848 176.117 -0.226 0.000 1.088 63 I CA -0.897 60.282 61.300 -0.201 0.000 1.047 63 I CB 2.135 39.937 38.000 -0.330 0.000 1.237 63 I HN 0.903 nan 8.210 nan 0.000 0.421 64 C N 4.879 124.044 119.300 -0.226 0.000 4.274 64 C HA -0.157 4.304 4.460 0.001 0.000 0.297 64 C C 1.609 176.656 174.990 0.095 0.000 1.446 64 C CA 0.776 59.732 59.018 -0.103 0.000 2.016 64 C CB -2.490 25.136 27.740 -0.189 0.000 1.273 64 C HN 1.372 nan 8.230 nan 0.000 0.782 65 G N -1.933 106.981 108.800 0.190 0.000 2.184 65 G HA2 -0.217 3.744 3.960 0.001 0.000 0.264 65 G HA3 -0.217 3.744 3.960 0.001 0.000 0.264 65 G C -0.013 174.926 174.900 0.065 0.000 0.975 65 G CA 0.317 45.590 45.100 0.290 0.000 0.642 65 G HN 1.357 nan 8.290 nan 0.000 0.536 66 V N 3.400 123.294 119.914 -0.033 0.000 2.385 66 V HA 0.440 4.560 4.120 0.001 0.000 0.269 66 V C -1.434 174.593 176.094 -0.112 0.000 1.043 66 V CA -1.453 60.791 62.300 -0.092 0.000 0.906 66 V CB 1.475 33.183 31.823 -0.192 0.000 0.995 66 V HN 0.232 nan 8.190 nan 0.000 0.467 67 P HA 0.383 nan 4.420 nan 0.000 0.276 67 P C -0.804 176.448 177.300 -0.079 0.000 1.243 67 P CA 0.070 63.135 63.100 -0.058 0.000 0.768 67 P CB 1.048 32.739 31.700 -0.016 0.000 0.856 68 I N 3.118 123.621 120.570 -0.112 0.000 2.545 68 I HA 0.408 4.578 4.170 0.001 0.000 0.292 68 I C -0.150 175.941 176.117 -0.042 0.000 1.040 68 I CA -1.210 60.033 61.300 -0.096 0.000 1.068 68 I CB 2.735 40.602 38.000 -0.222 0.000 1.251 68 I HN 0.072 nan 8.210 nan 0.000 0.424 69 V N 7.277 127.208 119.914 0.028 0.000 2.540 69 V HA 0.616 4.736 4.120 0.001 0.000 0.302 69 V C -1.060 175.080 176.094 0.076 0.000 1.035 69 V CA -0.344 61.979 62.300 0.039 0.000 0.873 69 V CB 1.847 33.707 31.823 0.062 0.000 0.992 69 V HN 0.520 nan 8.190 nan 0.000 0.428 70 L N 6.557 127.817 121.223 0.063 0.000 2.333 70 L HA 0.784 5.125 4.340 0.001 0.000 0.269 70 L C -0.134 176.799 176.870 0.105 0.000 1.010 70 L CA -0.404 54.494 54.840 0.097 0.000 0.818 70 L CB 1.842 43.942 42.059 0.068 0.000 1.306 70 L HN 0.713 nan 8.230 nan 0.000 0.430 71 R N 1.237 121.828 120.500 0.151 0.000 2.604 71 R HA 0.508 4.848 4.340 0.001 0.000 0.270 71 R C -1.476 174.941 176.300 0.195 0.000 1.052 71 R CA -0.806 55.383 56.100 0.148 0.000 0.902 71 R CB 1.866 32.252 30.300 0.143 0.000 1.233 71 R HN 0.702 nan 8.270 nan 0.000 0.455 72 R N 3.537 124.126 120.500 0.148 0.000 2.295 72 R HA 0.481 4.821 4.340 0.001 0.000 0.324 72 R C -1.508 174.889 176.300 0.162 0.000 0.968 72 R CA -0.457 55.734 56.100 0.151 0.000 0.837 72 R CB 1.515 31.872 30.300 0.095 0.000 1.133 72 R HN 0.317 nan 8.270 nan 0.000 0.450 73 V N 5.590 125.639 119.914 0.226 0.000 2.482 73 V HA 0.224 4.345 4.120 0.001 0.000 0.295 73 V C -0.431 175.769 176.094 0.178 0.000 1.026 73 V CA -1.038 61.375 62.300 0.188 0.000 0.856 73 V CB 1.631 33.567 31.823 0.188 0.000 1.001 73 V HN 0.995 nan 8.190 nan 0.000 0.424 74 N N 4.033 122.802 118.700 0.114 0.000 2.738 74 N HA -0.219 4.521 4.740 0.001 0.000 0.249 74 N C 1.231 176.791 175.510 0.083 0.000 1.047 74 N CA 1.518 54.623 53.050 0.092 0.000 0.707 74 N CB -1.067 37.479 38.487 0.097 0.000 0.937 74 N HN 1.574 nan 8.380 nan 0.000 0.545 75 G N -0.916 107.929 108.800 0.075 0.000 2.304 75 G HA2 -0.394 3.567 3.960 0.001 0.000 0.252 75 G HA3 -0.394 3.567 3.960 0.001 0.000 0.252 75 G C 0.085 175.006 174.900 0.035 0.000 1.014 75 G CA 1.016 46.147 45.100 0.052 0.000 0.619 75 G HN 0.669 nan 8.290 nan 0.000 0.525 76 K N 0.736 121.164 120.400 0.046 0.000 2.183 76 K HA 0.596 4.916 4.320 0.001 0.000 0.274 76 K C 0.048 176.598 176.600 -0.083 0.000 1.009 76 K CA -0.627 55.622 56.287 -0.062 0.000 0.888 76 K CB 1.345 33.773 32.500 -0.121 0.000 1.078 76 K HN 0.031 nan 8.250 nan 0.000 0.459 77 V N 5.507 125.314 119.914 -0.179 0.000 2.465 77 V HA 0.380 4.501 4.120 0.001 0.000 0.279 77 V C -0.543 175.380 176.094 -0.286 0.000 1.045 77 V CA -0.444 61.802 62.300 -0.090 0.000 0.938 77 V CB 0.508 32.320 31.823 -0.018 0.000 0.986 77 V HN 0.593 nan 8.190 nan 0.000 0.467 78 F N 2.109 122.106 119.950 0.079 0.000 2.538 78 F HA 0.834 5.362 4.527 0.001 0.000 0.325 78 F C 0.311 176.172 175.800 0.101 0.000 1.066 78 F CA -0.674 57.380 58.000 0.090 0.000 0.946 78 F CB 2.058 41.106 39.000 0.080 0.000 1.199 78 F HN 0.536 nan 8.300 nan 0.000 0.473 79 A N 2.773 125.775 122.820 0.304 0.000 2.381 79 A HA 0.860 5.180 4.320 0.001 0.000 0.299 79 A C -1.749 176.007 177.584 0.287 0.000 1.049 79 A CA -0.442 51.752 52.037 0.261 0.000 0.715 79 A CB 0.951 20.100 19.000 0.249 0.000 1.222 79 A HN 0.590 nan 8.150 nan 0.000 0.428 80 L N 0.624 121.997 121.223 0.250 0.000 2.303 80 L HA 0.570 4.911 4.340 0.001 0.000 0.256 80 L C 0.318 177.347 176.870 0.264 0.000 1.034 80 L CA -0.628 54.317 54.840 0.175 0.000 0.832 80 L CB 1.519 43.611 42.059 0.055 0.000 1.403 80 L HN 0.744 nan 8.230 nan 0.000 0.419 81 K N 0.703 121.225 120.400 0.205 0.000 2.379 81 K HA 0.036 4.357 4.320 0.001 0.000 0.284 81 K C -0.447 176.176 176.600 0.038 0.000 1.044 81 K CA -0.203 56.217 56.287 0.222 0.000 0.974 81 K CB 0.433 33.017 32.500 0.141 0.000 0.962 81 K HN 0.505 nan 8.250 nan 0.000 0.474 82 D N 4.445 124.866 120.400 0.035 0.000 2.767 82 D HA -0.015 4.626 4.640 0.001 0.000 0.231 82 D C -0.987 175.316 176.300 0.004 0.000 1.105 82 D CA 0.483 54.493 54.000 0.016 0.000 1.024 82 D CB -0.125 40.684 40.800 0.015 0.000 1.123 82 D HN 0.470 nan 8.370 nan 0.000 0.470 83 Q N 1.704 121.481 119.800 -0.038 0.000 2.334 83 Q HA 0.184 4.525 4.340 0.001 0.000 0.249 83 Q C -1.366 174.581 176.000 -0.088 0.000 0.909 83 Q CA -0.724 55.055 55.803 -0.041 0.000 0.823 83 Q CB 1.012 29.732 28.738 -0.031 0.000 1.353 83 Q HN 0.289 nan 8.270 nan 0.000 0.433 84 C N 5.236 124.511 119.300 -0.042 0.000 2.653 84 C HA 0.196 4.657 4.460 0.001 0.000 0.421 84 C C 1.935 176.926 174.990 0.002 0.000 1.334 84 C CA -0.347 58.681 59.018 0.016 0.000 1.885 84 C CB -0.631 27.136 27.740 0.045 0.000 2.645 84 C HN 0.955 nan 8.230 nan 0.000 0.601 85 L N 4.107 125.393 121.223 0.105 0.000 2.554 85 L HA 0.087 4.428 4.340 0.001 0.000 0.226 85 L C 2.059 178.929 176.870 -0.000 0.000 1.137 85 L CA 0.946 55.837 54.840 0.085 0.000 0.863 85 L CB -1.057 41.122 42.059 0.200 0.000 0.985 85 L HN 0.920 nan 8.230 nan 0.000 0.451 86 H N 2.088 120.908 119.070 -0.416 0.000 2.265 86 H HA 0.062 4.619 4.556 0.001 0.000 0.305 86 H C 0.863 176.000 175.328 -0.317 0.000 1.054 86 H CA 1.166 56.802 56.048 -0.687 0.000 1.296 86 H CB 0.392 29.294 29.762 -1.435 0.000 1.395 86 H HN 0.291 nan 8.280 nan 0.000 0.502 87 R N -0.494 119.779 120.500 -0.378 0.000 2.690 87 R HA 0.158 4.499 4.340 0.001 0.000 0.419 87 R C 0.425 176.642 176.300 -0.137 0.000 1.090 87 R CA 0.394 56.309 56.100 -0.307 0.000 1.064 87 R CB 1.366 31.432 30.300 -0.390 0.000 1.391 87 R HN 0.663 nan 8.270 nan 0.000 0.586 88 G N 1.402 110.140 108.800 -0.102 0.000 2.187 88 G HA2 -0.311 3.649 3.960 0.001 0.000 0.261 88 G HA3 -0.311 3.649 3.960 0.001 0.000 0.261 88 G C 0.427 175.304 174.900 -0.038 0.000 1.000 88 G CA 0.606 45.673 45.100 -0.056 0.000 0.718 88 G HN 0.295 nan 8.290 nan 0.000 0.519 89 V N -2.833 117.043 119.914 -0.063 0.000 2.881 89 V HA 0.629 4.749 4.120 0.001 0.000 0.303 89 V C 0.942 177.044 176.094 0.014 0.000 1.070 89 V CA -1.186 61.081 62.300 -0.055 0.000 1.074 89 V CB 0.990 32.658 31.823 -0.259 0.000 1.012 89 V HN 0.329 nan 8.190 nan 0.000 0.482 90 R N 2.682 123.255 120.500 0.122 0.000 2.316 90 R HA 0.343 4.684 4.340 0.001 0.000 0.314 90 R C 1.060 177.546 176.300 0.309 0.000 1.069 90 R CA -0.286 55.911 56.100 0.162 0.000 0.959 90 R CB 0.702 31.091 30.300 0.148 0.000 0.987 90 R HN 0.773 nan 8.270 nan 0.000 0.446 91 L N 1.761 123.119 121.223 0.226 0.000 2.191 91 L HA -0.199 4.142 4.340 0.001 0.000 0.212 91 L C 2.215 179.294 176.870 0.348 0.000 1.103 91 L CA 1.419 56.450 54.840 0.318 0.000 0.769 91 L CB -0.428 41.758 42.059 0.212 0.000 0.908 91 L HN 0.666 nan 8.230 nan 0.000 0.438 92 S N -1.254 114.573 115.700 0.211 0.000 2.561 92 S HA -0.079 4.392 4.470 0.001 0.000 0.225 92 S C 1.542 176.168 174.600 0.043 0.000 0.977 92 S CA 0.305 58.569 58.200 0.108 0.000 0.926 92 S CB -0.148 63.082 63.200 0.049 0.000 0.769 92 S HN 0.466 nan 8.310 nan 0.000 0.533 93 E N 1.110 121.359 120.200 0.082 0.000 2.208 93 E HA 0.054 4.404 4.350 0.001 0.000 0.193 93 E C 0.700 177.047 176.600 -0.423 0.000 0.988 93 E CA 0.672 56.997 56.400 -0.125 0.000 0.828 93 E CB 0.086 29.766 29.700 -0.033 0.000 0.763 93 E HN 0.483 nan 8.360 nan 0.000 0.478 94 K N 0.822 120.879 120.400 -0.572 0.000 2.950 94 K HA 0.203 4.523 4.320 0.001 0.000 0.199 94 K C -2.891 173.582 176.600 -0.211 0.000 1.144 94 K CA -1.919 54.007 56.287 -0.602 0.000 0.983 94 K CB 1.276 33.077 32.500 -1.166 0.000 1.187 94 K HN -0.233 nan 8.250 nan 0.000 0.595 95 P HA -0.089 nan 4.420 nan 0.000 0.253 95 P C -1.192 176.098 177.300 -0.018 0.000 1.159 95 P CA 0.678 63.775 63.100 -0.005 0.000 0.779 95 P CB 0.497 32.183 31.700 -0.023 0.000 0.745 96 T N 4.020 118.588 114.554 0.023 0.000 2.930 96 T HA 0.362 4.712 4.350 0.001 0.000 0.313 96 T C -0.773 173.834 174.700 -0.155 0.000 1.019 96 T CA -0.221 61.825 62.100 -0.090 0.000 1.004 96 T CB 0.263 69.140 68.868 0.015 0.000 0.987 96 T HN 0.264 nan 8.240 nan 0.000 0.456 97 C N 2.827 121.970 119.300 -0.262 0.000 2.364 97 C HA 0.500 4.961 4.460 0.001 0.000 0.324 97 C C 1.007 175.818 174.990 -0.298 0.000 1.234 97 C CA -0.805 58.104 59.018 -0.181 0.000 1.417 97 C CB -0.255 27.455 27.740 -0.050 0.000 2.101 97 C HN 0.987 nan 8.230 nan 0.000 0.466 98 F N 1.326 121.300 119.950 0.038 0.000 2.530 98 F HA 0.112 4.640 4.527 0.001 0.000 0.292 98 F C 1.770 177.578 175.800 0.014 0.000 1.109 98 F CA 0.559 58.574 58.000 0.025 0.000 1.450 98 F CB 0.207 39.217 39.000 0.017 0.000 1.114 98 F HN 0.671 nan 8.300 nan 0.000 0.560 99 T N -3.850 110.799 114.554 0.160 0.000 2.864 99 T HA 0.313 4.664 4.350 0.001 0.000 0.289 99 T C 0.652 175.377 174.700 0.042 0.000 1.082 99 T CA -0.898 61.255 62.100 0.088 0.000 1.009 99 T CB 2.021 70.931 68.868 0.070 0.000 1.234 99 T HN -0.300 nan 8.240 nan 0.000 0.526 100 K N 0.720 121.136 120.400 0.026 0.000 2.365 100 K HA 0.024 4.345 4.320 0.001 0.000 0.199 100 K C 1.919 178.495 176.600 -0.040 0.000 1.045 100 K CA 1.276 57.569 56.287 0.010 0.000 0.962 100 K CB -0.239 32.274 32.500 0.023 0.000 0.759 100 K HN 0.776 nan 8.250 nan 0.000 0.469 101 S N -0.635 115.033 115.700 -0.054 0.000 2.554 101 S HA 0.055 4.525 4.470 0.001 0.000 0.226 101 S C 0.679 175.208 174.600 -0.118 0.000 0.980 101 S CA -0.394 57.727 58.200 -0.131 0.000 0.939 101 S CB 0.019 63.164 63.200 -0.092 0.000 0.832 101 S HN 0.224 nan 8.310 nan 0.000 0.486 102 T N -0.881 113.648 114.554 -0.042 0.000 2.804 102 T HA 0.776 5.127 4.350 0.001 0.000 0.290 102 T C -0.973 173.763 174.700 0.060 0.000 1.099 102 T CA -0.912 61.198 62.100 0.016 0.000 1.011 102 T CB 1.629 70.528 68.868 0.051 0.000 1.291 102 T HN 0.360 nan 8.240 nan 0.000 0.523 103 I N 0.398 121.048 120.570 0.132 0.000 2.644 103 I HA 0.591 4.761 4.170 0.001 0.000 0.291 103 I C -1.317 174.955 176.117 0.257 0.000 1.180 103 I CA -0.390 61.012 61.300 0.169 0.000 1.040 103 I CB 2.092 40.197 38.000 0.175 0.000 1.255 103 I HN 0.818 nan 8.210 nan 0.000 0.422 104 S N 5.583 121.425 115.700 0.236 0.000 2.578 104 S HA 0.395 4.866 4.470 0.001 0.000 0.301 104 S C -0.810 173.978 174.600 0.313 0.000 1.091 104 S CA -0.509 57.859 58.200 0.280 0.000 1.032 104 S CB 1.715 65.117 63.200 0.337 0.000 1.064 104 S HN 0.742 nan 8.310 nan 0.000 0.508 105 C N 4.915 124.406 119.300 0.318 0.000 2.593 105 C HA 0.300 4.761 4.460 0.001 0.000 0.409 105 C C 1.682 176.780 174.990 0.179 0.000 1.304 105 C CA -0.689 58.455 59.018 0.209 0.000 2.007 105 C CB -0.838 27.005 27.740 0.172 0.000 2.614 105 C HN 1.025 nan 8.230 nan 0.000 0.585 106 W N 4.618 126.023 121.300 0.175 0.000 3.077 106 W HA 0.035 4.696 4.660 0.001 0.000 0.245 106 W C 1.233 177.854 176.519 0.170 0.000 1.316 106 W CA -0.097 57.331 57.345 0.138 0.000 1.537 106 W CB -1.277 28.223 29.460 0.066 0.000 1.131 106 W HN 0.933 nan 8.180 nan 0.000 0.695 107 Y N 1.268 121.340 120.300 -0.380 0.000 2.217 107 Y HA -0.081 4.469 4.550 0.001 0.000 0.286 107 Y C 1.599 177.281 175.900 -0.363 0.000 1.117 107 Y CA 1.547 59.369 58.100 -0.463 0.000 1.113 107 Y CB -0.279 37.746 38.460 -0.725 0.000 1.053 107 Y HN -0.102 nan 8.280 nan 0.000 0.501 108 H N -1.038 118.065 119.070 0.055 0.000 2.755 108 H HA 0.277 4.834 4.556 0.001 0.000 0.273 108 H C 0.998 176.398 175.328 0.120 0.000 1.055 108 H CA 0.488 56.547 56.048 0.018 0.000 1.191 108 H CB 1.054 30.761 29.762 -0.091 0.000 1.536 108 H HN 0.593 nan 8.280 nan 0.000 0.529 109 G N 0.592 109.543 108.800 0.251 0.000 2.136 109 G HA2 -0.300 3.661 3.960 0.001 0.000 0.242 109 G HA3 -0.300 3.661 3.960 0.001 0.000 0.242 109 G C -0.226 174.779 174.900 0.174 0.000 0.989 109 G CA -0.459 44.776 45.100 0.224 0.000 0.682 109 G HN 0.193 nan 8.290 nan 0.000 0.522 110 F N 2.005 121.918 119.950 -0.061 0.000 2.602 110 F HA 0.405 4.933 4.527 0.001 0.000 0.385 110 F C 1.283 176.825 175.800 -0.431 0.000 1.063 110 F CA 0.788 58.636 58.000 -0.253 0.000 1.233 110 F CB 0.796 39.706 39.000 -0.150 0.000 1.067 110 F HN 0.011 nan 8.300 nan 0.000 0.564 111 T N 5.623 119.866 114.554 -0.517 0.000 2.829 111 T HA 0.618 4.969 4.350 0.001 0.000 0.280 111 T C -0.831 173.447 174.700 -0.704 0.000 0.999 111 T CA -0.425 61.415 62.100 -0.434 0.000 0.983 111 T CB 0.671 69.449 68.868 -0.150 0.000 0.968 111 T HN 0.133 nan 8.240 nan 0.000 0.446 112 F N 0.929 120.922 119.950 0.071 0.000 2.546 112 F HA 0.456 4.984 4.527 0.001 0.000 0.320 112 F C 0.406 176.212 175.800 0.010 0.000 1.076 112 F CA -1.446 56.580 58.000 0.042 0.000 0.928 112 F CB 1.137 40.174 39.000 0.062 0.000 1.189 112 F HN 0.422 nan 8.300 nan 0.000 0.465 113 D N 1.818 122.310 120.400 0.153 0.000 2.348 113 D HA 0.226 4.867 4.640 0.001 0.000 0.253 113 D C 0.961 177.274 176.300 0.020 0.000 1.161 113 D CA 0.066 54.092 54.000 0.043 0.000 0.876 113 D CB 0.936 41.748 40.800 0.020 0.000 1.160 113 D HN 0.531 nan 8.370 nan 0.000 0.459 114 L N 2.805 123.963 121.223 -0.108 0.000 2.042 114 L HA -0.131 4.210 4.340 0.001 0.000 0.210 114 L C 2.122 178.919 176.870 -0.123 0.000 1.076 114 L CA 1.159 55.871 54.840 -0.213 0.000 0.749 114 L CB -0.377 41.284 42.059 -0.662 0.000 0.893 114 L HN 0.554 nan 8.230 nan 0.000 0.432 115 E N 0.174 120.284 120.200 -0.149 0.000 2.047 115 E HA -0.193 4.157 4.350 0.001 0.000 0.191 115 E C 1.994 178.653 176.600 0.098 0.000 0.987 115 E CA 2.094 58.543 56.400 0.081 0.000 0.799 115 E CB 0.035 29.771 29.700 0.060 0.000 0.752 115 E HN 0.471 nan 8.360 nan 0.000 0.449 116 T N -4.573 110.012 114.554 0.052 0.000 3.001 116 T HA 0.336 4.686 4.350 0.001 0.000 0.251 116 T C 1.538 176.266 174.700 0.048 0.000 1.040 116 T CA 0.497 62.626 62.100 0.048 0.000 0.985 116 T CB 0.521 69.411 68.868 0.038 0.000 1.011 116 T HN 0.360 nan 8.240 nan 0.000 0.509 117 G N 1.841 110.683 108.800 0.070 0.000 2.184 117 G HA2 -0.316 3.644 3.960 0.001 0.000 0.264 117 G HA3 -0.316 3.644 3.960 0.001 0.000 0.264 117 G C 0.036 175.050 174.900 0.191 0.000 0.975 117 G CA 0.470 45.629 45.100 0.099 0.000 0.642 117 G HN 0.867 nan 8.290 nan 0.000 0.536 118 K N 0.153 120.636 120.400 0.140 0.000 2.414 118 K HA 0.367 4.688 4.320 0.001 0.000 0.272 118 K C 0.437 177.131 176.600 0.157 0.000 0.993 118 K CA -0.729 55.637 56.287 0.132 0.000 0.964 118 K CB 0.246 32.779 32.500 0.056 0.000 0.925 118 K HN 0.242 nan 8.250 nan 0.000 0.487 119 L N 6.962 128.253 121.223 0.113 0.000 2.454 119 L HA 0.038 4.378 4.340 0.001 0.000 0.284 119 L C 0.682 177.465 176.870 -0.144 0.000 1.139 119 L CA 0.230 55.017 54.840 -0.089 0.000 0.911 119 L CB 0.669 42.682 42.059 -0.077 0.000 1.262 119 L HN 0.600 nan 8.230 nan 0.000 0.453 120 V N 1.549 121.364 119.914 -0.165 0.000 2.951 120 V HA 0.270 4.391 4.120 0.001 0.000 0.255 120 V C 0.879 176.866 176.094 -0.177 0.000 1.088 120 V CA 1.151 63.371 62.300 -0.132 0.000 1.109 120 V CB -0.569 31.201 31.823 -0.088 0.000 0.724 120 V HN 0.881 nan 8.190 nan 0.000 0.471 121 T N -1.015 113.382 114.554 -0.262 0.000 2.669 121 T HA 0.514 4.865 4.350 0.001 0.000 0.305 121 T C -2.141 172.329 174.700 -0.384 0.000 1.838 121 T CA -0.424 61.508 62.100 -0.280 0.000 0.978 121 T CB 1.261 70.009 68.868 -0.200 0.000 1.851 121 T HN 0.208 nan 8.240 nan 0.000 0.503 122 I N 3.072 123.423 120.570 -0.365 0.000 2.468 122 I HA 0.310 4.481 4.170 0.001 0.000 0.284 122 I C 1.533 177.517 176.117 -0.222 0.000 1.038 122 I CA -0.828 60.244 61.300 -0.380 0.000 1.083 122 I CB 2.009 39.683 38.000 -0.543 0.000 1.223 122 I HN 0.520 nan 8.210 nan 0.000 0.443 123 V N 4.760 124.580 119.914 -0.156 0.000 2.313 123 V HA -0.354 3.767 4.120 0.001 0.000 0.253 123 V C 2.322 178.348 176.094 -0.114 0.000 1.070 123 V CA 2.696 64.904 62.300 -0.155 0.000 1.057 123 V CB -0.624 31.122 31.823 -0.128 0.000 0.653 123 V HN 0.940 nan 8.190 nan 0.000 0.450 124 A N -0.950 121.830 122.820 -0.067 0.000 2.238 124 A HA 0.069 4.390 4.320 0.001 0.000 0.208 124 A C 1.100 178.636 177.584 -0.079 0.000 1.177 124 A CA 0.887 52.898 52.037 -0.045 0.000 0.804 124 A CB -0.253 18.756 19.000 0.015 0.000 0.823 124 A HN 0.544 nan 8.150 nan 0.000 0.482 125 N N -1.218 117.405 118.700 -0.127 0.000 2.946 125 N HA 0.200 4.941 4.740 0.001 0.000 0.213 125 N C -2.841 172.567 175.510 -0.171 0.000 1.440 125 N CA -1.074 51.894 53.050 -0.138 0.000 0.745 125 N CB 0.928 39.325 38.487 -0.150 0.000 1.471 125 N HN -0.170 nan 8.380 nan 0.000 0.569 126 P HA -0.017 nan 4.420 nan 0.000 0.222 126 P C 0.026 177.245 177.300 -0.135 0.000 1.147 126 P CA 1.249 64.261 63.100 -0.147 0.000 0.790 126 P CB 0.399 32.028 31.700 -0.119 0.000 0.780 127 E N -0.987 119.142 120.200 -0.119 0.000 2.558 127 E HA 0.079 4.430 4.350 0.001 0.000 0.205 127 E C -0.201 176.336 176.600 -0.105 0.000 1.006 127 E CA -0.293 56.046 56.400 -0.101 0.000 0.961 127 E CB -0.096 29.558 29.700 -0.077 0.000 1.044 127 E HN 0.279 nan 8.360 nan 0.000 0.465 128 D N 1.650 121.968 120.400 -0.136 0.000 2.414 128 D HA -0.052 4.589 4.640 0.001 0.000 0.242 128 D C 1.328 177.557 176.300 -0.118 0.000 1.129 128 D CA 0.245 54.166 54.000 -0.133 0.000 0.885 128 D CB 0.919 41.610 40.800 -0.182 0.000 1.198 128 D HN 0.020 nan 8.370 nan 0.000 0.437 129 K N 2.544 122.893 120.400 -0.086 0.000 2.283 129 K HA -0.126 4.195 4.320 0.001 0.000 0.202 129 K C 1.703 178.262 176.600 -0.068 0.000 1.048 129 K CA 0.634 56.881 56.287 -0.067 0.000 0.948 129 K CB -0.110 32.364 32.500 -0.045 0.000 0.742 129 K HN 0.347 nan 8.250 nan 0.000 0.458 130 L N 1.812 122.986 121.223 -0.083 0.000 2.201 130 L HA 0.124 4.464 4.340 0.001 0.000 0.212 130 L C 0.596 177.405 176.870 -0.102 0.000 1.105 130 L CA 0.937 55.736 54.840 -0.068 0.000 0.775 130 L CB -0.154 41.875 42.059 -0.049 0.000 0.913 130 L HN 0.182 nan 8.230 nan 0.000 0.440 131 I N 0.570 121.042 120.570 -0.164 0.000 2.826 131 I HA 0.028 4.199 4.170 0.001 0.000 0.295 131 I C 1.684 177.738 176.117 -0.104 0.000 1.213 131 I CA 0.969 62.163 61.300 -0.178 0.000 1.436 131 I CB -0.337 37.542 38.000 -0.201 0.000 1.348 131 I HN 0.496 nan 8.210 nan 0.000 0.570 132 G N 3.926 112.675 108.800 -0.085 0.000 2.245 132 G HA2 -0.368 3.593 3.960 0.001 0.000 0.264 132 G HA3 -0.368 3.593 3.960 0.001 0.000 0.264 132 G C 0.911 175.799 174.900 -0.019 0.000 0.985 132 G CA 0.799 45.872 45.100 -0.045 0.000 0.625 132 G HN 0.769 nan 8.290 nan 0.000 0.536 133 T N -3.032 111.512 114.554 -0.016 0.000 3.129 133 T HA 0.487 4.837 4.350 0.001 0.000 0.251 133 T C 0.791 175.506 174.700 0.025 0.000 1.117 133 T CA 1.753 63.854 62.100 0.002 0.000 1.034 133 T CB 0.688 69.555 68.868 -0.002 0.000 0.968 133 T HN 1.227 nan 8.240 nan 0.000 0.526 134 T N -1.482 113.097 114.554 0.043 0.000 2.653 134 T HA 0.625 4.976 4.350 0.001 0.000 0.306 134 T C -1.199 173.574 174.700 0.122 0.000 1.426 134 T CA 0.136 62.282 62.100 0.076 0.000 1.008 134 T CB 1.182 70.107 68.868 0.095 0.000 1.692 134 T HN 0.754 nan 8.240 nan 0.000 0.483 135 G N -0.241 108.654 108.800 0.159 0.000 2.340 135 G HA2 0.528 4.489 3.960 0.001 0.000 0.299 135 G HA3 0.528 4.489 3.960 0.001 0.000 0.299 135 G C -1.031 173.939 174.900 0.116 0.000 1.291 135 G CA 0.155 45.399 45.100 0.239 0.000 0.841 135 G HN 1.546 nan 8.290 nan 0.000 0.500 136 V N -2.013 117.902 119.914 0.002 0.000 2.834 136 V HA 0.853 4.974 4.120 0.001 0.000 0.313 136 V C 0.502 176.522 176.094 -0.124 0.000 1.060 136 V CA -0.500 61.706 62.300 -0.155 0.000 0.989 136 V CB 1.233 32.799 31.823 -0.429 0.000 1.041 136 V HN 0.931 nan 8.190 nan 0.000 0.459 137 T N 3.082 117.542 114.554 -0.156 0.000 2.930 137 T HA 0.407 4.758 4.350 0.001 0.000 0.306 137 T C 0.454 174.881 174.700 -0.456 0.000 1.045 137 T CA 0.487 62.418 62.100 -0.281 0.000 1.134 137 T CB 0.370 69.043 68.868 -0.324 0.000 0.961 137 T HN 1.220 nan 8.240 nan 0.000 0.545 138 T N 0.455 114.736 114.554 -0.455 0.000 2.925 138 T HA 0.634 4.985 4.350 0.001 0.000 0.285 138 T C -1.144 173.187 174.700 -0.616 0.000 1.021 138 T CA -0.845 61.036 62.100 -0.364 0.000 1.042 138 T CB 0.684 69.499 68.868 -0.087 0.000 1.037 138 T HN 0.496 nan 8.240 nan 0.000 0.481 139 Y N 0.899 121.241 120.300 0.071 0.000 2.338 139 Y HA 0.465 5.015 4.550 0.001 0.000 0.333 139 Y C -2.499 173.447 175.900 0.077 0.000 0.968 139 Y CA -2.656 55.477 58.100 0.054 0.000 1.123 139 Y CB 1.832 40.298 38.460 0.010 0.000 1.165 139 Y HN 0.507 nan 8.280 nan 0.000 0.452 140 P HA 0.034 nan 4.420 nan 0.000 0.265 140 P C -0.873 176.588 177.300 0.269 0.000 1.193 140 P CA 0.121 63.319 63.100 0.162 0.000 0.765 140 P CB 0.717 32.446 31.700 0.048 0.000 0.823 141 V N 3.941 124.044 119.914 0.316 0.000 2.680 141 V HA 0.364 4.485 4.120 0.001 0.000 0.309 141 V C -0.342 175.979 176.094 0.379 0.000 1.052 141 V CA -0.312 62.205 62.300 0.362 0.000 0.908 141 V CB 1.818 33.723 31.823 0.138 0.000 1.001 141 V HN 0.599 nan 8.190 nan 0.000 0.431 142 H N 3.574 122.820 119.070 0.293 0.000 3.092 142 H HA 0.391 4.948 4.556 0.001 0.000 0.308 142 H C -0.782 174.596 175.328 0.084 0.000 1.047 142 H CA -0.379 55.694 56.048 0.042 0.000 1.466 142 H CB 1.340 30.895 29.762 -0.346 0.000 1.597 142 H HN 0.814 nan 8.280 nan 0.000 0.512 143 E N 4.265 124.589 120.200 0.206 0.000 2.174 143 E HA 0.493 4.844 4.350 0.001 0.000 0.282 143 E C -1.331 175.392 176.600 0.206 0.000 0.992 143 E CA -0.716 55.794 56.400 0.182 0.000 0.803 143 E CB 1.355 31.096 29.700 0.067 0.000 1.090 143 E HN 0.281 nan 8.360 nan 0.000 0.396 144 V N 5.631 125.677 119.914 0.221 0.000 2.817 144 V HA 0.212 4.332 4.120 0.001 0.000 0.303 144 V C -1.102 175.078 176.094 0.144 0.000 1.151 144 V CA -0.677 61.726 62.300 0.173 0.000 0.929 144 V CB 1.782 33.713 31.823 0.178 0.000 1.030 144 V HN 0.956 nan 8.190 nan 0.000 0.427 145 N N 4.658 123.423 118.700 0.107 0.000 2.714 145 N HA -0.202 4.539 4.740 0.001 0.000 0.252 145 N C 1.029 176.608 175.510 0.115 0.000 1.014 145 N CA 1.976 55.086 53.050 0.100 0.000 0.735 145 N CB -1.028 37.518 38.487 0.098 0.000 0.924 145 N HN 1.927 nan 8.380 nan 0.000 0.540 146 G N -2.183 106.685 108.800 0.114 0.000 2.176 146 G HA2 -0.291 3.669 3.960 0.001 0.000 0.253 146 G HA3 -0.291 3.669 3.960 0.001 0.000 0.253 146 G C -0.037 174.967 174.900 0.174 0.000 0.979 146 G CA 0.532 45.717 45.100 0.141 0.000 0.641 146 G HN 0.329 nan 8.290 nan 0.000 0.530 147 M N 0.303 119.959 119.600 0.093 0.000 2.393 147 M HA 0.575 5.055 4.480 0.001 0.000 0.316 147 M C -0.168 176.036 176.300 -0.160 0.000 1.087 147 M CA -0.754 54.480 55.300 -0.110 0.000 0.937 147 M CB 1.832 34.285 32.600 -0.244 0.000 1.668 147 M HN 0.059 nan 8.290 nan 0.000 0.438 148 I N 3.330 123.715 120.570 -0.308 0.000 2.371 148 I HA 0.326 4.497 4.170 0.001 0.000 0.282 148 I C -1.015 174.910 176.117 -0.320 0.000 1.031 148 I CA -0.302 60.898 61.300 -0.165 0.000 1.180 148 I CB 0.573 38.529 38.000 -0.073 0.000 1.336 148 I HN 0.461 nan 8.210 nan 0.000 0.467 149 F N 5.465 125.381 119.950 -0.057 0.000 2.397 149 F HA 0.559 5.086 4.527 0.001 0.000 0.331 149 F C 0.248 176.217 175.800 0.281 0.000 1.090 149 F CA -0.630 57.372 58.000 0.002 0.000 1.065 149 F CB 1.564 40.538 39.000 -0.043 0.000 1.184 149 F HN -0.007 nan 8.300 nan 0.000 0.499 150 V N 3.137 123.325 119.914 0.456 0.000 2.709 150 V HA 0.244 4.365 4.120 0.001 0.000 0.308 150 V C -1.048 175.138 176.094 0.153 0.000 1.062 150 V CA -0.963 61.528 62.300 0.319 0.000 0.901 150 V CB 2.024 33.911 31.823 0.107 0.000 1.003 150 V HN 0.521 nan 8.190 nan 0.000 0.425 151 F N 5.316 124.987 119.950 -0.465 0.000 2.423 151 F HA 0.470 4.998 4.527 0.001 0.000 0.356 151 F C 0.195 175.816 175.800 -0.299 0.000 1.170 151 F CA -0.427 57.057 58.000 -0.860 0.000 1.163 151 F CB 0.658 38.756 39.000 -1.503 0.000 1.318 151 F HN 0.284 nan 8.300 nan 0.000 0.569 152 V N 7.676 127.295 119.914 -0.491 0.000 2.415 152 V HA 0.277 4.398 4.120 0.001 0.000 0.267 152 V C 0.118 175.878 176.094 -0.557 0.000 1.042 152 V CA -0.108 61.947 62.300 -0.408 0.000 1.000 152 V CB -0.099 31.545 31.823 -0.297 0.000 1.015 152 V HN 0.766 nan 8.190 nan 0.000 0.478 153 R N 3.107 123.465 120.500 -0.236 0.000 2.888 153 R HA 0.717 5.058 4.340 0.001 0.000 0.264 153 R C -0.679 175.637 176.300 0.027 0.000 1.045 153 R CA -1.044 54.895 56.100 -0.268 0.000 0.962 153 R CB 1.884 32.062 30.300 -0.205 0.000 1.210 153 R HN 0.517 nan 8.270 nan 0.000 0.479 154 E N 0.380 120.595 120.200 0.025 0.000 2.392 154 E HA 0.006 4.356 4.350 0.001 0.000 0.256 154 E C -0.110 176.565 176.600 0.124 0.000 1.145 154 E CA -0.509 55.944 56.400 0.088 0.000 0.929 154 E CB 0.608 30.370 29.700 0.103 0.000 0.998 154 E HN 0.533 nan 8.360 nan 0.000 0.442 155 D N 1.312 121.763 120.400 0.085 0.000 2.149 155 D HA -0.169 4.472 4.640 0.001 0.000 0.198 155 D C 1.051 177.390 176.300 0.064 0.000 0.990 155 D CA 1.364 55.395 54.000 0.052 0.000 0.839 155 D CB -0.164 40.654 40.800 0.029 0.000 0.948 155 D HN 0.481 nan 8.370 nan 0.000 0.460 156 D N -0.837 119.616 120.400 0.088 0.000 2.340 156 D HA -0.084 4.557 4.640 0.001 0.000 0.217 156 D C 0.119 176.484 176.300 0.109 0.000 1.081 156 D CA -0.569 53.476 54.000 0.074 0.000 0.842 156 D CB -1.006 39.822 40.800 0.047 0.000 0.934 156 D HN 0.069 nan 8.370 nan 0.000 0.511 157 F N 3.557 123.526 119.950 0.032 0.000 2.494 157 F HA 0.242 4.769 4.527 0.001 0.000 0.369 157 F C -1.858 173.971 175.800 0.048 0.000 1.098 157 F CA -2.301 55.734 58.000 0.058 0.000 1.154 157 F CB 0.401 39.466 39.000 0.107 0.000 1.103 157 F HN -0.167 nan 8.300 nan 0.000 0.549 158 P HA -0.023 nan 4.420 nan 0.000 0.266 158 P C -0.089 177.143 177.300 -0.113 0.000 1.195 158 P CA 0.011 62.993 63.100 -0.197 0.000 0.768 158 P CB 0.932 32.485 31.700 -0.246 0.000 0.838 159 D N 1.736 122.125 120.400 -0.019 0.000 2.123 159 D HA -0.193 4.448 4.640 0.001 0.000 0.196 159 D C 1.742 178.031 176.300 -0.019 0.000 0.992 159 D CA 1.669 55.679 54.000 0.017 0.000 0.833 159 D CB -0.339 40.470 40.800 0.015 0.000 0.954 159 D HN 0.672 nan 8.370 nan 0.000 0.455 160 E N 0.374 120.541 120.200 -0.055 0.000 2.333 160 E HA -0.154 4.197 4.350 0.001 0.000 0.198 160 E C 0.596 177.154 176.600 -0.070 0.000 1.007 160 E CA 0.988 57.355 56.400 -0.054 0.000 0.845 160 E CB -0.011 29.656 29.700 -0.055 0.000 0.766 160 E HN 0.089 nan 8.360 nan 0.000 0.507 161 D N 0.677 120.996 120.400 -0.134 0.000 2.360 161 D HA 0.058 4.699 4.640 0.001 0.000 0.210 161 D C -0.135 176.217 176.300 0.086 0.000 1.047 161 D CA 0.031 53.952 54.000 -0.132 0.000 0.854 161 D CB 0.529 41.031 40.800 -0.497 0.000 0.936 161 D HN 0.008 nan 8.370 nan 0.000 0.514 162 V N 4.479 124.435 119.914 0.069 0.000 2.493 162 V HA 0.076 4.196 4.120 0.001 0.000 0.292 162 V C -1.519 174.488 176.094 -0.145 0.000 1.016 162 V CA -0.701 61.489 62.300 -0.183 0.000 1.097 162 V CB 0.289 31.920 31.823 -0.320 0.000 0.947 162 V HN 0.090 nan 8.190 nan 0.000 0.479 163 P HA 0.429 nan 4.420 nan 0.000 0.278 163 P C -2.839 174.481 177.300 0.034 0.000 1.266 163 P CA -2.124 60.972 63.100 -0.007 0.000 0.807 163 P CB 0.462 32.245 31.700 0.138 0.000 1.094 164 P HA 0.059 nan 4.420 nan 0.000 0.271 164 P C 1.039 178.082 177.300 -0.429 0.000 1.218 164 P CA -0.302 62.603 63.100 -0.326 0.000 0.780 164 P CB 0.259 31.653 31.700 -0.511 0.000 0.901 165 L N 3.724 124.449 121.223 -0.830 0.000 2.079 165 L HA -0.206 4.134 4.340 0.001 0.000 0.210 165 L C 2.048 178.462 176.870 -0.760 0.000 1.081 165 L CA 2.338 56.326 54.840 -1.419 0.000 0.752 165 L CB -1.505 39.492 42.059 -1.771 0.000 0.896 165 L HN 0.429 nan 8.230 nan 0.000 0.433 166 A N -1.396 121.105 122.820 -0.532 0.000 1.978 166 A HA -0.275 4.045 4.320 0.001 0.000 0.220 166 A C 2.121 179.643 177.584 -0.103 0.000 1.170 166 A CA 1.896 53.747 52.037 -0.309 0.000 0.636 166 A CB -1.181 17.696 19.000 -0.205 0.000 0.810 166 A HN 0.772 nan 8.150 nan 0.000 0.448 167 H N -1.340 117.632 119.070 -0.163 0.000 2.489 167 H HA -0.071 4.486 4.556 0.001 0.000 0.293 167 H C 0.311 175.608 175.328 -0.052 0.000 1.066 167 H CA 0.741 56.745 56.048 -0.073 0.000 1.305 167 H CB 0.228 29.994 29.762 0.008 0.000 1.386 167 H HN 0.390 nan 8.280 nan 0.000 0.551 168 D N 0.287 120.724 120.400 0.061 0.000 2.559 168 D HA 0.224 4.865 4.640 0.001 0.000 0.234 168 D C -0.324 175.922 176.300 -0.090 0.000 1.226 168 D CA 0.145 54.183 54.000 0.063 0.000 0.830 168 D CB 0.578 41.535 40.800 0.261 0.000 1.028 168 D HN 0.212 nan 8.370 nan 0.000 0.492 169 L N 0.245 121.343 121.223 -0.208 0.000 2.333 169 L HA 0.482 4.823 4.340 0.001 0.000 0.263 169 L C -2.303 174.349 176.870 -0.364 0.000 1.014 169 L CA -2.260 52.403 54.840 -0.295 0.000 0.820 169 L CB 2.448 44.282 42.059 -0.375 0.000 1.352 169 L HN -0.311 nan 8.230 nan 0.000 0.421 170 P HA 0.005 nan 4.420 nan 0.000 0.270 170 P C -0.776 176.301 177.300 -0.371 0.000 1.227 170 P CA -0.057 62.774 63.100 -0.448 0.000 0.788 170 P CB 0.278 31.862 31.700 -0.194 0.000 0.926 171 F N 0.419 120.284 119.950 -0.142 0.000 2.602 171 F HA 0.028 4.556 4.527 0.001 0.000 0.367 171 F C 1.717 177.363 175.800 -0.257 0.000 1.126 171 F CA 0.364 58.239 58.000 -0.209 0.000 1.321 171 F CB 0.059 38.872 39.000 -0.312 0.000 1.094 171 F HN 0.037 nan 8.300 nan 0.000 0.594 172 R N 2.606 123.040 120.500 -0.109 0.000 2.486 172 R HA 0.609 4.950 4.340 0.001 0.000 0.286 172 R C -1.403 174.693 176.300 -0.339 0.000 0.999 172 R CA -0.765 55.262 56.100 -0.122 0.000 0.993 172 R CB 1.177 31.457 30.300 -0.033 0.000 1.084 172 R HN 0.447 nan 8.270 nan 0.000 0.487 173 F N 1.455 121.494 119.950 0.149 0.000 2.563 173 F HA 0.340 4.868 4.527 0.001 0.000 0.316 173 F C -1.207 174.671 175.800 0.129 0.000 1.076 173 F CA -2.032 56.062 58.000 0.157 0.000 0.921 173 F CB 1.877 40.952 39.000 0.124 0.000 1.209 173 F HN 0.422 nan 8.300 nan 0.000 0.462 174 P HA -0.085 nan 4.420 nan 0.000 0.245 174 P C 1.006 178.439 177.300 0.222 0.000 1.212 174 P CA 0.776 64.087 63.100 0.352 0.000 0.774 174 P CB 0.164 32.011 31.700 0.246 0.000 0.999 175 E N 1.657 121.927 120.200 0.117 0.000 2.136 175 E HA -0.212 4.138 4.350 0.001 0.000 0.202 175 E C 1.243 177.850 176.600 0.011 0.000 1.019 175 E CA 1.214 57.639 56.400 0.042 0.000 0.819 175 E CB -0.030 29.674 29.700 0.006 0.000 0.739 175 E HN 0.257 nan 8.360 nan 0.000 0.458 176 R N -0.212 120.253 120.500 -0.057 0.000 2.586 176 R HA 0.224 4.564 4.340 0.001 0.000 0.336 176 R C 1.684 178.093 176.300 0.182 0.000 1.060 176 R CA 0.026 56.089 56.100 -0.062 0.000 1.079 176 R CB 0.642 30.860 30.300 -0.137 0.000 1.317 176 R HN 0.015 nan 8.270 nan 0.000 0.568 177 S N 1.515 117.459 115.700 0.406 0.000 2.399 177 S HA -0.207 4.264 4.470 0.001 0.000 0.231 177 S C 2.333 177.082 174.600 0.249 0.000 1.022 177 S CA 1.916 60.469 58.200 0.588 0.000 0.983 177 S CB 0.070 63.549 63.200 0.464 0.000 0.803 177 S HN 0.691 nan 8.310 nan 0.000 0.480 178 E N 1.286 121.545 120.200 0.099 0.000 2.072 178 E HA -0.160 4.191 4.350 0.001 0.000 0.191 178 E C 1.813 178.384 176.600 -0.049 0.000 0.985 178 E CA 1.414 57.815 56.400 0.002 0.000 0.801 178 E CB -0.928 28.755 29.700 -0.028 0.000 0.750 178 E HN 0.692 nan 8.360 nan 0.000 0.452 179 Q N -1.707 117.996 119.800 -0.162 0.000 2.119 179 Q HA -0.013 4.327 4.340 0.001 0.000 0.201 179 Q C -0.170 175.558 176.000 -0.453 0.000 0.972 179 Q CA 1.122 56.651 55.803 -0.456 0.000 0.847 179 Q CB -0.003 28.234 28.738 -0.834 0.000 0.903 179 Q HN 0.588 nan 8.270 nan 0.000 0.433 180 F N 0.970 121.109 119.950 0.315 0.000 2.531 180 F HA 0.427 4.955 4.527 0.001 0.000 0.333 180 F C -2.263 173.848 175.800 0.518 0.000 1.292 180 F CA -2.629 55.679 58.000 0.512 0.000 1.184 180 F CB 1.151 40.369 39.000 0.363 0.000 1.426 180 F HN -0.061 nan 8.300 nan 0.000 0.559 181 P HA -0.055 nan 4.420 nan 0.000 0.261 181 P C -0.616 176.708 177.300 0.039 0.000 1.173 181 P CA 0.543 63.706 63.100 0.105 0.000 0.760 181 P CB 0.104 31.791 31.700 -0.022 0.000 0.783 182 H N 2.152 121.071 119.070 -0.252 0.000 2.439 182 H HA 0.315 4.871 4.556 0.001 0.000 0.228 182 H C -2.237 172.617 175.328 -0.791 0.000 1.423 182 H CA -2.158 53.429 56.048 -0.767 0.000 1.386 182 H CB 0.125 29.293 29.762 -0.989 0.000 1.641 182 H HN 0.211 nan 8.280 nan 0.000 0.508 183 P HA -0.118 nan 4.420 nan 0.000 0.223 183 P C 0.859 177.926 177.300 -0.388 0.000 1.151 183 P CA 0.659 63.504 63.100 -0.425 0.000 0.787 183 P CB 0.666 32.191 31.700 -0.292 0.000 0.788 184 L N -2.018 118.875 121.223 -0.551 0.000 2.591 184 L HA 0.144 4.485 4.340 0.001 0.000 0.228 184 L C 0.437 177.307 176.870 -0.000 0.000 1.133 184 L CA -0.140 54.506 54.840 -0.323 0.000 0.880 184 L CB -0.469 41.325 42.059 -0.442 0.000 1.033 184 L HN 0.110 nan 8.230 nan 0.000 0.450 185 W N -2.199 119.072 121.300 -0.047 0.000 3.275 185 W HA 0.527 5.188 4.660 0.001 0.000 0.306 185 W C -3.102 173.430 176.519 0.022 0.000 1.259 185 W CA -2.090 55.224 57.345 -0.052 0.000 1.194 185 W CB -0.267 29.131 29.460 -0.104 0.000 1.375 185 W HN -0.400 nan 8.180 nan 0.000 0.564 186 P HA 0.166 nan 4.420 nan 0.000 0.274 186 P C -0.094 177.290 177.300 0.141 0.000 1.237 186 P CA 0.006 63.186 63.100 0.134 0.000 0.793 186 P CB 1.134 32.821 31.700 -0.022 0.000 0.977 187 S N 0.563 116.354 115.700 0.151 0.000 2.558 187 S HA 0.074 4.544 4.470 0.001 0.000 0.293 187 S C 0.543 175.159 174.600 0.026 0.000 1.292 187 S CA 0.071 58.270 58.200 -0.002 0.000 1.063 187 S CB -0.461 62.867 63.200 0.213 0.000 0.831 187 S HN 0.362 nan 8.310 nan 0.000 0.499 188 S N 5.021 120.688 115.700 -0.055 0.000 2.545 188 S HA 0.357 4.828 4.470 0.001 0.000 0.275 188 S C -1.816 172.888 174.600 0.173 0.000 1.299 188 S CA -0.975 57.244 58.200 0.030 0.000 1.048 188 S CB 0.554 63.738 63.200 -0.027 0.000 0.938 188 S HN 0.551 nan 8.310 nan 0.000 0.496 189 P HA 0.241 nan 4.420 nan 0.000 0.276 189 P C -0.598 176.861 177.300 0.265 0.000 1.252 189 P CA -0.464 62.743 63.100 0.179 0.000 0.802 189 P CB 1.006 32.776 31.700 0.117 0.000 1.035 190 S N -0.299 115.521 115.700 0.201 0.000 2.638 190 S HA 0.262 4.732 4.470 0.001 0.000 0.298 190 S C 1.292 175.951 174.600 0.098 0.000 1.111 190 S CA -0.694 57.594 58.200 0.147 0.000 1.027 190 S CB 0.710 63.935 63.200 0.042 0.000 1.064 190 S HN 0.290 nan 8.310 nan 0.000 0.525 191 V N 3.115 123.042 119.914 0.022 0.000 2.913 191 V HA 0.031 4.152 4.120 0.001 0.000 0.260 191 V C 1.662 177.767 176.094 0.018 0.000 1.098 191 V CA 1.416 63.758 62.300 0.070 0.000 1.121 191 V CB -1.123 30.769 31.823 0.115 0.000 0.714 191 V HN 0.785 nan 8.190 nan 0.000 0.487 192 L N -0.133 121.060 121.223 -0.050 0.000 2.395 192 L HA 0.147 4.488 4.340 0.001 0.000 0.218 192 L C 0.711 177.576 176.870 -0.008 0.000 1.130 192 L CA 0.279 55.080 54.840 -0.065 0.000 0.826 192 L CB -0.457 41.522 42.059 -0.134 0.000 0.941 192 L HN 0.323 nan 8.230 nan 0.000 0.451 193 D N 0.638 121.051 120.400 0.021 0.000 2.399 193 D HA 0.041 4.682 4.640 0.001 0.000 0.241 193 D C -0.199 176.123 176.300 0.037 0.000 1.133 193 D CA 0.051 54.073 54.000 0.036 0.000 0.890 193 D CB 0.669 41.504 40.800 0.058 0.000 1.201 193 D HN -0.083 nan 8.370 nan 0.000 0.432 194 D N 0.762 121.181 120.400 0.032 0.000 2.424 194 D HA 0.041 4.682 4.640 0.001 0.000 0.244 194 D C 0.740 177.060 176.300 0.032 0.000 1.134 194 D CA 0.369 54.388 54.000 0.030 0.000 0.881 194 D CB 0.135 40.950 40.800 0.025 0.000 1.191 194 D HN 0.411 nan 8.370 nan 0.000 0.445 195 N N -0.587 118.134 118.700 0.034 0.000 2.878 195 N HA -0.217 4.524 4.740 0.001 0.000 0.247 195 N C -0.506 175.024 175.510 0.033 0.000 1.021 195 N CA 0.404 53.474 53.050 0.033 0.000 0.873 195 N CB -0.540 37.962 38.487 0.025 0.000 1.128 195 N HN 0.477 nan 8.380 nan 0.000 0.571 196 A N 0.790 123.635 122.820 0.042 0.000 2.409 196 A HA 0.521 4.842 4.320 0.001 0.000 0.262 196 A C 0.427 178.047 177.584 0.061 0.000 1.113 196 A CA 0.048 52.114 52.037 0.048 0.000 0.790 196 A CB 0.681 19.726 19.000 0.075 0.000 1.046 196 A HN 0.075 nan 8.150 nan 0.000 0.496 197 V N 3.471 123.421 119.914 0.060 0.000 2.513 197 V HA 0.448 4.569 4.120 0.001 0.000 0.299 197 V C -0.153 176.014 176.094 0.122 0.000 1.035 197 V CA -0.503 61.845 62.300 0.080 0.000 0.889 197 V CB 1.705 33.620 31.823 0.153 0.000 0.988 197 V HN 0.642 nan 8.190 nan 0.000 0.440 198 V N 4.363 124.272 119.914 -0.008 0.000 2.459 198 V HA 0.581 4.702 4.120 0.001 0.000 0.295 198 V C -0.717 175.196 176.094 -0.301 0.000 1.029 198 V CA -0.572 61.745 62.300 0.028 0.000 0.874 198 V CB 1.604 33.538 31.823 0.186 0.000 0.985 198 V HN 0.842 nan 8.190 nan 0.000 0.438 199 H N 2.328 121.329 119.070 -0.116 0.000 2.679 199 H HA 0.850 5.407 4.556 0.001 0.000 0.360 199 H C 0.262 175.320 175.328 -0.450 0.000 1.105 199 H CA 0.214 55.875 56.048 -0.644 0.000 1.196 199 H CB 2.244 31.119 29.762 -1.479 0.000 1.636 199 H HN 0.962 nan 8.280 nan 0.000 0.531 200 G N 1.117 109.758 108.800 -0.266 0.000 2.336 200 G HA2 0.409 4.369 3.960 0.001 0.000 0.286 200 G HA3 0.409 4.369 3.960 0.001 0.000 0.286 200 G C -1.399 173.545 174.900 0.073 0.000 1.269 200 G CA -0.290 44.875 45.100 0.107 0.000 0.873 200 G HN 0.636 nan 8.290 nan 0.000 0.494 201 M N -0.954 118.790 119.600 0.240 0.000 2.773 201 M HA 0.778 5.259 4.480 0.001 0.000 0.270 201 M C -1.678 174.577 176.300 -0.074 0.000 1.238 201 M CA -0.999 54.361 55.300 0.099 0.000 0.832 201 M CB 2.340 34.902 32.600 -0.063 0.000 1.672 201 M HN 1.186 nan 8.290 nan 0.000 0.480 202 H N -1.109 117.749 119.070 -0.353 0.000 2.759 202 H HA 0.826 5.383 4.556 0.001 0.000 0.354 202 H C -1.892 173.171 175.328 -0.443 0.000 1.074 202 H CA -0.867 54.740 56.048 -0.736 0.000 1.226 202 H CB 1.500 30.115 29.762 -1.911 0.000 1.648 202 H HN 0.828 nan 8.280 nan 0.000 0.529 203 R N 1.964 122.345 120.500 -0.198 0.000 2.686 203 R HA 0.438 4.779 4.340 0.001 0.000 0.283 203 R C -0.832 175.367 176.300 -0.168 0.000 0.978 203 R CA -1.101 54.925 56.100 -0.123 0.000 0.897 203 R CB 2.259 32.536 30.300 -0.038 0.000 1.192 203 R HN 0.699 nan 8.270 nan 0.000 0.457 204 T N 1.268 115.685 114.554 -0.228 0.000 2.916 204 T HA 0.200 4.551 4.350 0.001 0.000 0.303 204 T C 0.475 174.736 174.700 -0.731 0.000 1.025 204 T CA 0.024 61.861 62.100 -0.438 0.000 1.142 204 T CB 0.903 69.547 68.868 -0.374 0.000 0.947 204 T HN 0.696 nan 8.240 nan 0.000 0.544 205 G N 1.523 109.739 108.800 -0.973 0.000 2.388 205 G HA2 0.606 4.567 3.960 0.001 0.000 0.330 205 G HA3 0.606 4.567 3.960 0.001 0.000 0.330 205 G C -0.961 173.330 174.900 -1.014 0.000 1.142 205 G CA -0.814 43.669 45.100 -1.029 0.000 0.908 205 G HN 0.624 nan 8.290 nan 0.000 0.473 206 F N 1.642 121.527 119.950 -0.109 0.000 2.335 206 F HA 0.638 5.166 4.527 0.001 0.000 0.365 206 F C 0.939 176.761 175.800 0.038 0.000 1.122 206 F CA 0.158 58.132 58.000 -0.043 0.000 1.151 206 F CB 1.427 40.393 39.000 -0.057 0.000 1.282 206 F HN 0.860 nan 8.300 nan 0.000 0.513 207 G N 2.229 111.127 108.800 0.164 0.000 2.353 207 G HA2 0.021 3.982 3.960 0.001 0.000 0.308 207 G HA3 0.021 3.982 3.960 0.001 0.000 0.308 207 G C -1.806 173.216 174.900 0.203 0.000 1.418 207 G CA -1.427 43.768 45.100 0.159 0.000 0.966 207 G HN 0.556 nan 8.290 nan 0.000 0.638 208 N N 0.398 119.165 118.700 0.112 0.000 2.479 208 N HA 0.198 4.938 4.740 0.001 0.000 0.257 208 N C 1.768 177.222 175.510 -0.093 0.000 1.232 208 N CA 0.387 53.472 53.050 0.058 0.000 0.920 208 N CB 0.350 38.861 38.487 0.039 0.000 1.105 208 N HN 0.738 nan 8.380 nan 0.000 0.444 209 W N 4.092 125.303 121.300 -0.148 0.000 2.374 209 W HA -0.117 4.543 4.660 0.001 0.000 0.288 209 W C 0.922 177.327 176.519 -0.191 0.000 1.218 209 W CA 0.514 57.711 57.345 -0.246 0.000 1.245 209 W CB -0.564 28.872 29.460 -0.040 0.000 1.126 209 W HN 0.548 nan 8.180 nan 0.000 0.545 210 R N 0.353 120.110 120.500 -1.238 0.000 2.081 210 R HA -0.163 4.178 4.340 0.001 0.000 0.235 210 R C 2.315 178.353 176.300 -0.436 0.000 1.131 210 R CA 1.927 57.398 56.100 -1.049 0.000 0.960 210 R CB -0.498 29.197 30.300 -1.009 0.000 0.856 210 R HN 0.097 nan 8.270 nan 0.000 0.436 211 I N 0.891 121.221 120.570 -0.401 0.000 2.286 211 I HA -0.209 3.962 4.170 0.001 0.000 0.248 211 I C 2.443 178.312 176.117 -0.414 0.000 1.115 211 I CA 1.322 62.374 61.300 -0.413 0.000 1.392 211 I CB -1.390 36.383 38.000 -0.378 0.000 1.065 211 I HN 0.170 nan 8.210 nan 0.000 0.418 212 A N -0.071 122.480 122.820 -0.449 0.000 1.854 212 A HA -0.245 4.075 4.320 0.001 0.000 0.214 212 A C 2.664 179.799 177.584 -0.748 0.000 1.192 212 A CA 1.610 53.363 52.037 -0.475 0.000 0.611 212 A CB -1.387 17.296 19.000 -0.529 0.000 0.832 212 A HN 0.526 nan 8.150 nan 0.000 0.442 213 C N 0.238 118.983 119.300 -0.925 0.000 2.398 213 C HA -0.176 4.284 4.460 0.001 0.000 0.276 213 C C 2.567 177.117 174.990 -0.734 0.000 1.222 213 C CA 1.795 60.057 59.018 -1.260 0.000 1.746 213 C CB -1.464 26.051 27.740 -0.375 0.000 2.039 213 C HN 0.696 nan 8.230 nan 0.000 0.470 214 E N 0.173 120.046 120.200 -0.545 0.000 2.153 214 E HA -0.206 4.145 4.350 0.001 0.000 0.194 214 E C 2.065 178.132 176.600 -0.888 0.000 0.988 214 E CA 1.229 57.163 56.400 -0.777 0.000 0.811 214 E CB -0.487 28.952 29.700 -0.436 0.000 0.746 214 E HN 0.768 nan 8.360 nan 0.000 0.466 215 N N 1.073 119.400 118.700 -0.621 0.000 2.244 215 N HA -0.116 4.625 4.740 0.001 0.000 0.183 215 N C 1.992 177.249 175.510 -0.422 0.000 1.016 215 N CA 1.220 53.954 53.050 -0.526 0.000 0.866 215 N CB -0.087 38.150 38.487 -0.418 0.000 0.980 215 N HN 0.131 nan 8.380 nan 0.000 0.430 216 G N 0.712 109.294 108.800 -0.364 0.000 2.469 216 G HA2 -0.246 3.715 3.960 0.001 0.000 0.219 216 G HA3 -0.246 3.715 3.960 0.001 0.000 0.219 216 G C 1.053 175.967 174.900 0.024 0.000 1.150 216 G CA 1.064 46.147 45.100 -0.030 0.000 0.763 216 G HN 0.553 nan 8.290 nan 0.000 0.561 217 F N -0.141 119.714 119.950 -0.158 0.000 2.668 217 F HA 0.445 4.972 4.527 0.001 0.000 0.301 217 F C 0.063 175.803 175.800 -0.098 0.000 1.106 217 F CA -1.544 56.375 58.000 -0.136 0.000 1.289 217 F CB -0.122 38.762 39.000 -0.192 0.000 1.006 217 F HN -0.108 nan 8.300 nan 0.000 0.535 218 D N 1.896 122.103 120.400 -0.321 0.000 2.424 218 D HA -0.043 4.597 4.640 0.001 0.000 0.244 218 D C 0.334 176.674 176.300 0.067 0.000 1.134 218 D CA 0.256 54.138 54.000 -0.196 0.000 0.881 218 D CB 0.795 41.419 40.800 -0.294 0.000 1.191 218 D HN 0.280 nan 8.370 nan 0.000 0.445 219 N N 2.176 120.895 118.700 0.032 0.000 2.356 219 N HA 0.033 4.773 4.740 0.001 0.000 0.178 219 N C -0.094 175.448 175.510 0.054 0.000 1.075 219 N CA 0.075 53.117 53.050 -0.013 0.000 0.889 219 N CB 0.641 39.000 38.487 -0.214 0.000 0.999 219 N HN 0.355 nan 8.380 nan 0.000 0.464 220 A N 1.619 124.522 122.820 0.138 0.000 2.938 220 A HA 0.268 4.589 4.320 0.001 0.000 0.344 220 A C -0.510 177.182 177.584 0.179 0.000 1.142 220 A CA -0.592 51.518 52.037 0.122 0.000 0.841 220 A CB -0.488 18.581 19.000 0.115 0.000 1.083 220 A HN 0.348 nan 8.150 nan 0.000 0.479 221 H N 0.992 120.078 119.070 0.027 0.000 2.825 221 H HA 0.187 4.743 4.556 0.001 0.000 0.226 221 H C 0.352 175.707 175.328 0.045 0.000 1.414 221 H CA -0.379 55.676 56.048 0.010 0.000 1.198 221 H CB -0.803 28.939 29.762 -0.033 0.000 2.013 221 H HN 0.452 nan 8.280 nan 0.000 0.530 222 I N 0.903 121.468 120.570 -0.008 0.000 2.264 222 I HA -0.246 3.925 4.170 0.001 0.000 0.248 222 I C 1.478 177.614 176.117 0.031 0.000 1.111 222 I CA 0.960 62.267 61.300 0.013 0.000 1.382 222 I CB 0.167 38.190 38.000 0.038 0.000 1.060 222 I HN 0.321 nan 8.210 nan 0.000 0.418 223 L N -0.047 121.192 121.223 0.025 0.000 2.191 223 L HA -0.195 4.145 4.340 0.001 0.000 0.212 223 L C 2.408 179.258 176.870 -0.032 0.000 1.103 223 L CA 0.712 55.558 54.840 0.010 0.000 0.769 223 L CB -0.600 41.464 42.059 0.007 0.000 0.908 223 L HN 0.156 nan 8.230 nan 0.000 0.438 224 V N -1.203 118.666 119.914 -0.075 0.000 2.548 224 V HA -0.201 3.920 4.120 0.001 0.000 0.249 224 V C 1.902 177.751 176.094 -0.408 0.000 1.055 224 V CA 1.393 63.552 62.300 -0.235 0.000 1.065 224 V CB -0.565 31.102 31.823 -0.261 0.000 0.681 224 V HN 0.498 nan 8.190 nan 0.000 0.462 225 H N -0.213 118.806 119.070 -0.085 0.000 2.755 225 H HA 0.120 4.676 4.556 0.001 0.000 0.273 225 H C 2.040 177.376 175.328 0.014 0.000 1.055 225 H CA 0.437 56.412 56.048 -0.123 0.000 1.191 225 H CB 0.346 29.941 29.762 -0.278 0.000 1.536 225 H HN 0.561 nan 8.280 nan 0.000 0.529 226 K N 0.813 121.284 120.400 0.119 0.000 2.113 226 K HA -0.151 4.170 4.320 0.001 0.000 0.208 226 K C 0.703 177.404 176.600 0.167 0.000 1.047 226 K CA 2.003 58.363 56.287 0.122 0.000 0.928 226 K CB 0.047 32.610 32.500 0.106 0.000 0.716 226 K HN -0.029 nan 8.250 nan 0.000 0.446 227 D N 0.362 120.874 120.400 0.187 0.000 2.340 227 D HA 0.022 4.663 4.640 0.001 0.000 0.220 227 D C -0.331 176.144 176.300 0.292 0.000 1.039 227 D CA 0.082 54.263 54.000 0.301 0.000 0.866 227 D CB -0.216 40.665 40.800 0.135 0.000 0.913 227 D HN 0.183 nan 8.370 nan 0.000 0.523 228 N N 0.616 119.437 118.700 0.201 0.000 2.412 228 N HA -0.038 4.703 4.740 0.001 0.000 0.254 228 N C 1.300 176.933 175.510 0.204 0.000 1.232 228 N CA 0.355 53.528 53.050 0.204 0.000 0.880 228 N CB 0.791 39.447 38.487 0.282 0.000 1.076 228 N HN -0.076 nan 8.380 nan 0.000 0.458 229 T N 1.692 116.352 114.554 0.178 0.000 2.720 229 T HA -0.152 4.199 4.350 0.001 0.000 0.268 229 T C 1.840 176.557 174.700 0.029 0.000 1.037 229 T CA 0.671 62.854 62.100 0.137 0.000 1.144 229 T CB -0.125 68.789 68.868 0.077 0.000 0.864 229 T HN 0.567 nan 8.240 nan 0.000 0.444 230 I N 1.077 121.641 120.570 -0.011 0.000 2.361 230 I HA -0.164 4.006 4.170 0.001 0.000 0.251 230 I C 2.133 177.956 176.117 -0.491 0.000 1.133 230 I CA 1.040 62.210 61.300 -0.217 0.000 1.413 230 I CB -0.072 37.829 38.000 -0.166 0.000 1.073 230 I HN 0.064 nan 8.210 nan 0.000 0.424 231 V N 0.872 120.621 119.914 -0.274 0.000 2.343 231 V HA -0.317 3.804 4.120 0.001 0.000 0.247 231 V C 2.136 177.982 176.094 -0.414 0.000 1.051 231 V CA 2.402 64.525 62.300 -0.294 0.000 1.036 231 V CB -1.088 30.660 31.823 -0.126 0.000 0.654 231 V HN 0.542 nan 8.190 nan 0.000 0.451 232 H N -0.281 118.736 119.070 -0.087 0.000 2.482 232 H HA 0.224 4.780 4.556 0.001 0.000 0.286 232 H C 2.193 177.443 175.328 -0.131 0.000 1.017 232 H CA 1.002 57.008 56.048 -0.069 0.000 1.322 232 H CB -0.192 29.557 29.762 -0.022 0.000 1.426 232 H HN 0.425 nan 8.280 nan 0.000 0.546 233 A N 0.847 123.610 122.820 -0.094 0.000 1.969 233 A HA -0.087 4.234 4.320 0.001 0.000 0.218 233 A C 1.747 179.194 177.584 -0.228 0.000 1.169 233 A CA 1.148 53.105 52.037 -0.133 0.000 0.635 233 A CB -0.073 18.841 19.000 -0.144 0.000 0.810 233 A HN 0.217 nan 8.150 nan 0.000 0.445 234 M N -0.874 118.456 119.600 -0.450 0.000 2.495 234 M HA 0.102 4.583 4.480 0.001 0.000 0.237 234 M C -0.306 175.810 176.300 -0.307 0.000 1.131 234 M CA 0.293 55.261 55.300 -0.554 0.000 1.032 234 M CB -1.119 30.686 32.600 -1.325 0.000 1.513 234 M HN 0.402 nan 8.290 nan 0.000 0.488 235 D N -0.303 120.000 120.400 -0.163 0.000 2.772 235 D HA -0.174 4.467 4.640 0.001 0.000 0.233 235 D C -0.868 175.536 176.300 0.174 0.000 1.143 235 D CA 0.701 54.716 54.000 0.024 0.000 0.700 235 D CB -0.820 40.009 40.800 0.048 0.000 1.076 235 D HN 0.315 nan 8.370 nan 0.000 0.430 236 W N -0.245 121.055 121.300 0.001 0.000 2.184 236 W HA 0.511 5.172 4.660 0.001 0.000 0.338 236 W C 0.538 177.068 176.519 0.018 0.000 1.257 236 W CA -0.655 56.694 57.345 0.007 0.000 1.243 236 W CB 0.442 29.903 29.460 0.002 0.000 1.122 236 W HN -0.249 nan 8.180 nan 0.000 0.585 237 V N 5.048 125.116 119.914 0.257 0.000 2.385 237 V HA 0.199 4.319 4.120 0.001 0.000 0.277 237 V C 0.156 176.324 176.094 0.123 0.000 1.012 237 V CA -0.849 61.548 62.300 0.161 0.000 0.832 237 V CB 0.236 32.134 31.823 0.124 0.000 1.028 237 V HN 0.278 nan 8.190 nan 0.000 0.436 238 L N 6.211 127.511 121.223 0.127 0.000 2.452 238 L HA 0.460 4.801 4.340 0.001 0.000 0.267 238 L C -1.798 175.116 176.870 0.074 0.000 1.188 238 L CA -1.443 53.453 54.840 0.093 0.000 0.821 238 L CB 0.646 42.771 42.059 0.110 0.000 1.102 238 L HN 0.355 nan 8.230 nan 0.000 0.470 239 P HA 0.176 nan 4.420 nan 0.000 0.282 239 P C 0.610 177.940 177.300 0.049 0.000 1.249 239 P CA -0.591 62.539 63.100 0.050 0.000 0.806 239 P CB 1.384 33.106 31.700 0.037 0.000 0.984 240 L N 0.418 121.670 121.223 0.048 0.000 2.261 240 L HA 0.025 4.366 4.340 0.001 0.000 0.216 240 L C 1.410 178.309 176.870 0.048 0.000 1.114 240 L CA 1.609 56.477 54.840 0.047 0.000 0.777 240 L CB -0.742 41.343 42.059 0.043 0.000 0.910 240 L HN 0.694 nan 8.230 nan 0.000 0.440 241 G N -1.218 107.612 108.800 0.050 0.000 2.322 241 G HA2 0.397 4.357 3.960 0.001 0.000 0.295 241 G HA3 0.397 4.357 3.960 0.001 0.000 0.295 241 G C -1.974 172.971 174.900 0.075 0.000 1.369 241 G CA -0.763 44.374 45.100 0.062 0.000 0.821 241 G HN -0.140 nan 8.290 nan 0.000 0.536 242 L N 0.277 121.571 121.223 0.119 0.000 2.385 242 L HA 0.668 5.008 4.340 0.001 0.000 0.273 242 L C -0.673 176.400 176.870 0.339 0.000 0.990 242 L CA -0.774 54.184 54.840 0.197 0.000 0.821 242 L CB 1.950 44.100 42.059 0.152 0.000 1.279 242 L HN 0.398 nan 8.230 nan 0.000 0.412 243 L N 5.045 126.430 121.223 0.271 0.000 2.346 243 L HA 0.608 4.949 4.340 0.001 0.000 0.274 243 L C -2.341 174.438 176.870 -0.151 0.000 1.007 243 L CA -1.871 53.040 54.840 0.119 0.000 0.818 243 L CB 2.327 44.404 42.059 0.031 0.000 1.284 243 L HN 0.333 nan 8.230 nan 0.000 0.424 244 P HA 0.107 nan 4.420 nan 0.000 0.282 244 P C 0.170 177.215 177.300 -0.426 0.000 1.262 244 P CA -0.326 62.211 63.100 -0.938 0.000 0.773 244 P CB 1.376 32.531 31.700 -0.908 0.000 0.879 245 T N -0.992 113.346 114.554 -0.360 0.000 3.037 245 T HA 0.129 4.480 4.350 0.001 0.000 0.251 245 T C 0.771 175.382 174.700 -0.148 0.000 1.079 245 T CA 0.170 62.158 62.100 -0.186 0.000 1.067 245 T CB -0.205 68.590 68.868 -0.123 0.000 0.948 245 T HN 0.528 nan 8.240 nan 0.000 0.496 246 S N 1.209 116.804 115.700 -0.176 0.000 2.618 246 S HA 0.464 4.934 4.470 0.001 0.000 0.277 246 S C -0.260 174.282 174.600 -0.096 0.000 1.138 246 S CA -0.465 57.672 58.200 -0.105 0.000 0.844 246 S CB 1.849 65.004 63.200 -0.075 0.000 1.127 246 S HN 0.187 nan 8.310 nan 0.000 0.474 247 D N -0.213 120.162 120.400 -0.041 0.000 2.349 247 D HA -0.013 4.628 4.640 0.001 0.000 0.224 247 D C 0.338 176.661 176.300 0.037 0.000 1.029 247 D CA 0.332 54.326 54.000 -0.010 0.000 0.879 247 D CB -0.478 40.328 40.800 0.010 0.000 0.906 247 D HN 0.658 nan 8.370 nan 0.000 0.528 248 D N 0.342 120.771 120.400 0.049 0.000 2.525 248 D HA -0.026 4.615 4.640 0.001 0.000 0.229 248 D C 1.504 177.948 176.300 0.240 0.000 1.202 248 D CA -0.490 53.590 54.000 0.134 0.000 0.828 248 D CB -1.061 39.804 40.800 0.108 0.000 1.008 248 D HN 0.335 nan 8.370 nan 0.000 0.493 249 C N -0.702 118.688 119.300 0.150 0.000 2.449 249 C HA 0.295 4.755 4.460 0.001 0.000 0.283 249 C C 0.821 176.151 174.990 0.566 0.000 1.453 249 C CA -0.546 58.600 59.018 0.214 0.000 1.779 249 C CB -1.364 26.154 27.740 -0.369 0.000 1.779 249 C HN 0.323 nan 8.230 nan 0.000 0.546 250 I N 0.922 121.732 120.570 0.399 0.000 2.533 250 I HA 0.576 4.747 4.170 0.001 0.000 0.290 250 I C -0.028 176.217 176.117 0.214 0.000 1.056 250 I CA -0.476 60.983 61.300 0.265 0.000 1.057 250 I CB 1.789 39.939 38.000 0.251 0.000 1.240 250 I HN 0.140 nan 8.210 nan 0.000 0.423 251 A N 6.205 129.053 122.820 0.048 0.000 2.292 251 A HA 0.747 5.067 4.320 0.001 0.000 0.319 251 A C -0.655 176.980 177.584 0.084 0.000 1.206 251 A CA -0.468 51.663 52.037 0.156 0.000 0.835 251 A CB 0.996 20.130 19.000 0.223 0.000 1.164 251 A HN 0.436 nan 8.150 nan 0.000 0.505 252 V N 3.552 123.540 119.914 0.124 0.000 2.370 252 V HA 0.371 4.492 4.120 0.001 0.000 0.283 252 V C -0.173 175.975 176.094 0.090 0.000 1.023 252 V CA -0.461 61.906 62.300 0.111 0.000 0.857 252 V CB 1.338 33.239 31.823 0.130 0.000 0.985 252 V HN 0.612 nan 8.190 nan 0.000 0.443 253 V N 4.844 124.809 119.914 0.085 0.000 2.398 253 V HA 0.457 4.577 4.120 0.001 0.000 0.286 253 V C 0.426 176.475 176.094 -0.076 0.000 1.026 253 V CA -0.301 62.024 62.300 0.042 0.000 0.868 253 V CB 1.369 33.255 31.823 0.105 0.000 0.982 253 V HN 1.035 nan 8.190 nan 0.000 0.443 254 E N 1.484 121.570 120.200 -0.191 0.000 2.743 254 E HA 0.110 4.461 4.350 0.001 0.000 0.222 254 E C -0.314 175.917 176.600 -0.615 0.000 0.959 254 E CA -0.361 55.706 56.400 -0.556 0.000 1.198 254 E CB 0.662 30.128 29.700 -0.390 0.000 1.100 254 E HN 0.890 nan 8.360 nan 0.000 0.518 255 D N 1.937 122.150 120.400 -0.311 0.000 2.360 255 D HA -0.068 4.573 4.640 0.001 0.000 0.242 255 D C 0.619 176.742 176.300 -0.295 0.000 1.184 255 D CA -0.062 53.795 54.000 -0.238 0.000 0.930 255 D CB 1.207 41.937 40.800 -0.117 0.000 1.161 255 D HN -0.044 nan 8.370 nan 0.000 0.447 256 D N 0.217 120.505 120.400 -0.187 0.000 2.087 256 D HA -0.233 4.407 4.640 0.001 0.000 0.192 256 D C 0.517 176.660 176.300 -0.261 0.000 0.993 256 D CA 0.910 54.810 54.000 -0.167 0.000 0.828 256 D CB -0.480 40.300 40.800 -0.033 0.000 0.968 256 D HN 0.382 nan 8.370 nan 0.000 0.448 257 D N 0.985 121.288 120.400 -0.162 0.000 2.508 257 D HA 0.390 5.030 4.640 0.001 0.000 0.224 257 D C 0.185 176.369 176.300 -0.192 0.000 1.171 257 D CA 0.310 54.231 54.000 -0.132 0.000 1.006 257 D CB -0.061 40.756 40.800 0.028 0.000 1.073 257 D HN 0.400 nan 8.370 nan 0.000 0.513 258 G N 2.601 111.085 108.800 -0.526 0.000 2.356 258 G HA2 0.088 4.049 3.960 0.001 0.000 0.300 258 G HA3 0.088 4.049 3.960 0.001 0.000 0.300 258 G C -3.199 171.537 174.900 -0.273 0.000 1.331 258 G CA -0.999 43.965 45.100 -0.226 0.000 0.905 258 G HN 0.080 nan 8.290 nan 0.000 0.587 259 P HA 0.324 nan 4.420 nan 0.000 0.272 259 P C -0.801 176.429 177.300 -0.117 0.000 1.223 259 P CA -0.163 62.837 63.100 -0.167 0.000 0.784 259 P CB 0.558 32.017 31.700 -0.403 0.000 0.923 260 K N 2.149 122.469 120.400 -0.133 0.000 2.293 260 K HA 0.710 5.030 4.320 0.001 0.000 0.267 260 K C 0.369 176.965 176.600 -0.007 0.000 1.010 260 K CA -0.267 55.937 56.287 -0.139 0.000 0.875 260 K CB 1.401 33.792 32.500 -0.181 0.000 1.106 260 K HN 0.788 nan 8.250 nan 0.000 0.450 261 G N 1.596 110.461 108.800 0.109 0.000 2.435 261 G HA2 0.464 4.425 3.960 0.001 0.000 0.296 261 G HA3 0.464 4.425 3.960 0.001 0.000 0.296 261 G C -1.476 173.574 174.900 0.250 0.000 1.240 261 G CA -0.801 44.404 45.100 0.175 0.000 0.872 261 G HN 0.457 nan 8.290 nan 0.000 0.480 262 M N -1.511 118.197 119.600 0.181 0.000 2.501 262 M HA 0.885 5.366 4.480 0.001 0.000 0.293 262 M C -1.247 175.030 176.300 -0.038 0.000 1.192 262 M CA -1.094 54.252 55.300 0.077 0.000 0.886 262 M CB 2.538 35.169 32.600 0.052 0.000 1.710 262 M HN 0.591 nan 8.290 nan 0.000 0.457 263 M N 2.861 122.314 119.600 -0.246 0.000 2.167 263 M HA 0.427 4.908 4.480 0.001 0.000 0.333 263 M C -1.467 174.537 176.300 -0.493 0.000 1.030 263 M CA -0.055 54.947 55.300 -0.497 0.000 0.963 263 M CB 1.916 33.890 32.600 -1.043 0.000 1.589 263 M HN 0.774 nan 8.290 nan 0.000 0.431 264 Q N 4.096 123.704 119.800 -0.319 0.000 2.296 264 Q HA 0.198 4.539 4.340 0.001 0.000 0.257 264 Q C -1.116 174.816 176.000 -0.114 0.000 0.942 264 Q CA 0.064 55.772 55.803 -0.158 0.000 0.939 264 Q CB 0.749 29.383 28.738 -0.173 0.000 1.198 264 Q HN 0.800 nan 8.270 nan 0.000 0.429 265 W N 4.509 125.986 121.300 0.294 0.000 1.371 265 W HA 0.153 4.813 4.660 0.001 0.000 0.482 265 W C -0.217 176.468 176.519 0.277 0.000 0.640 265 W CA -0.495 57.028 57.345 0.297 0.000 2.164 265 W CB -0.185 29.464 29.460 0.315 0.000 1.613 265 W HN 0.358 nan 8.180 nan 0.000 0.212 266 L N 1.672 123.031 121.223 0.227 0.000 2.452 266 L HA 0.167 4.508 4.340 0.001 0.000 0.267 266 L C 0.655 177.715 176.870 0.317 0.000 1.188 266 L CA -0.666 54.182 54.840 0.014 0.000 0.821 266 L CB 0.017 41.962 42.059 -0.190 0.000 1.102 266 L HN 0.269 nan 8.230 nan 0.000 0.470 267 F N -0.352 119.667 119.950 0.115 0.000 3.074 267 F HA -0.246 4.281 4.527 0.001 0.000 0.287 267 F C 0.637 176.518 175.800 0.135 0.000 0.932 267 F CA 0.907 58.987 58.000 0.133 0.000 0.995 267 F CB -1.932 37.167 39.000 0.165 0.000 0.966 267 F HN 0.743 nan 8.300 nan 0.000 0.721 268 T N -5.528 109.173 114.554 0.245 0.000 2.716 268 T HA 0.448 4.799 4.350 0.001 0.000 0.286 268 T C 0.471 175.252 174.700 0.136 0.000 1.052 268 T CA -0.155 62.049 62.100 0.174 0.000 1.024 268 T CB 1.799 70.773 68.868 0.178 0.000 1.349 268 T HN -0.119 nan 8.240 nan 0.000 0.525 269 D N -0.288 120.153 120.400 0.068 0.000 2.263 269 D HA -0.025 4.616 4.640 0.001 0.000 0.208 269 D C 1.574 177.889 176.300 0.024 0.000 0.971 269 D CA 0.974 54.993 54.000 0.032 0.000 0.867 269 D CB 0.036 40.830 40.800 -0.010 0.000 0.929 269 D HN 0.470 nan 8.370 nan 0.000 0.492 270 K N -1.029 119.405 120.400 0.057 0.000 2.432 270 K HA -0.025 4.296 4.320 0.001 0.000 0.196 270 K C -0.210 176.273 176.600 -0.195 0.000 1.038 270 K CA 0.306 56.573 56.287 -0.033 0.000 0.986 270 K CB 0.264 32.805 32.500 0.068 0.000 0.782 270 K HN 0.240 nan 8.250 nan 0.000 0.485 271 W N 0.947 122.260 121.300 0.022 0.000 2.543 271 W HA 0.376 5.036 4.660 0.001 0.000 0.318 271 W C -0.892 175.591 176.519 -0.061 0.000 1.002 271 W CA -0.641 56.693 57.345 -0.018 0.000 1.302 271 W CB 1.302 30.735 29.460 -0.045 0.000 1.299 271 W HN -0.136 nan 8.180 nan 0.000 0.424 272 A N 5.923 128.819 122.820 0.126 0.000 2.290 272 A HA 0.773 5.094 4.320 0.001 0.000 0.310 272 A C -2.292 175.336 177.584 0.073 0.000 1.202 272 A CA -1.600 50.479 52.037 0.070 0.000 0.837 272 A CB 0.517 19.535 19.000 0.030 0.000 1.139 272 A HN 0.297 nan 8.150 nan 0.000 0.509 273 P HA 0.273 nan 4.420 nan 0.000 0.278 273 P C -0.661 176.665 177.300 0.042 0.000 1.238 273 P CA -0.116 63.004 63.100 0.034 0.000 0.794 273 P CB 1.205 32.913 31.700 0.013 0.000 0.955 274 V N 4.163 124.105 119.914 0.046 0.000 2.370 274 V HA 0.086 4.206 4.120 0.001 0.000 0.279 274 V C 1.285 177.403 176.094 0.041 0.000 1.029 274 V CA -0.066 62.260 62.300 0.043 0.000 0.870 274 V CB 0.888 32.739 31.823 0.046 0.000 0.984 274 V HN 0.411 nan 8.190 nan 0.000 0.451 275 L N 4.303 125.549 121.223 0.037 0.000 2.616 275 L HA 0.355 4.695 4.340 0.001 0.000 0.229 275 L C 0.803 177.694 176.870 0.036 0.000 1.110 275 L CA 0.561 55.424 54.840 0.039 0.000 0.884 275 L CB -0.124 41.958 42.059 0.038 0.000 1.115 275 L HN 0.884 nan 8.230 nan 0.000 0.481 276 E N -1.719 118.500 120.200 0.033 0.000 2.423 276 E HA 0.396 4.746 4.350 0.001 0.000 0.280 276 E C -1.144 175.472 176.600 0.027 0.000 1.030 276 E CA -0.904 55.514 56.400 0.029 0.000 0.812 276 E CB 1.353 31.069 29.700 0.026 0.000 1.313 276 E HN -0.048 nan 8.360 nan 0.000 0.456 277 N N 0.417 119.131 118.700 0.024 0.000 2.609 277 N HA 0.114 4.855 4.740 0.001 0.000 0.268 277 N C 0.006 175.526 175.510 0.018 0.000 1.106 277 N CA -0.096 52.966 53.050 0.021 0.000 0.823 277 N CB 1.310 39.810 38.487 0.021 0.000 1.263 277 N HN 0.529 nan 8.380 nan 0.000 0.533 278 Q N 0.569 120.379 119.800 0.016 0.000 2.124 278 Q HA -0.220 4.120 4.340 0.001 0.000 0.202 278 Q C 1.062 177.069 176.000 0.012 0.000 0.977 278 Q CA 1.340 57.151 55.803 0.014 0.000 0.850 278 Q CB 0.096 28.842 28.738 0.013 0.000 0.901 278 Q HN 0.630 nan 8.270 nan 0.000 0.429 279 E N 0.893 121.100 120.200 0.011 0.000 2.085 279 E HA -0.156 4.195 4.350 0.001 0.000 0.194 279 E C 1.435 178.041 176.600 0.009 0.000 0.994 279 E CA 1.229 57.634 56.400 0.009 0.000 0.801 279 E CB -0.044 29.661 29.700 0.009 0.000 0.743 279 E HN 0.336 nan 8.360 nan 0.000 0.453 280 L N -1.548 119.681 121.223 0.011 0.000 2.585 280 L HA 0.311 4.652 4.340 0.001 0.000 0.226 280 L C 1.235 178.113 176.870 0.012 0.000 1.113 280 L CA 0.235 55.081 54.840 0.010 0.000 0.876 280 L CB 0.100 42.166 42.059 0.011 0.000 1.072 280 L HN 0.372 nan 8.230 nan 0.000 0.468 281 G N 1.306 110.114 108.800 0.014 0.000 2.212 281 G HA2 -0.245 3.716 3.960 0.001 0.000 0.255 281 G HA3 -0.245 3.716 3.960 0.001 0.000 0.255 281 G C -0.066 174.845 174.900 0.018 0.000 1.062 281 G CA -0.159 44.950 45.100 0.015 0.000 0.815 281 G HN 0.197 nan 8.290 nan 0.000 0.497 282 L N -0.655 120.580 121.223 0.020 0.000 2.343 282 L HA 0.821 5.161 4.340 0.001 0.000 0.275 282 L C 0.415 177.301 176.870 0.027 0.000 1.056 282 L CA -0.799 54.056 54.840 0.025 0.000 0.804 282 L CB 2.050 44.125 42.059 0.027 0.000 1.203 282 L HN 0.220 nan 8.230 nan 0.000 0.440 283 K N 1.890 122.309 120.400 0.031 0.000 2.587 283 K HA 0.455 4.776 4.320 0.001 0.000 0.256 283 K C -1.980 174.643 176.600 0.039 0.000 0.974 283 K CA -0.503 55.803 56.287 0.033 0.000 0.855 283 K CB 2.136 34.653 32.500 0.029 0.000 1.292 283 K HN 0.323 nan 8.250 nan 0.000 0.444 284 V N 3.509 123.448 119.914 0.042 0.000 2.532 284 V HA 0.464 4.585 4.120 0.001 0.000 0.295 284 V C -0.355 175.768 176.094 0.048 0.000 1.041 284 V CA -0.500 61.830 62.300 0.049 0.000 0.926 284 V CB 1.639 33.495 31.823 0.054 0.000 0.992 284 V HN 0.817 nan 8.190 nan 0.000 0.457 285 E N 1.724 121.955 120.200 0.051 0.000 2.359 285 E HA 0.579 4.930 4.350 0.001 0.000 0.266 285 E C 0.356 176.989 176.600 0.056 0.000 0.920 285 E CA -0.747 55.682 56.400 0.049 0.000 0.788 285 E CB 1.782 31.508 29.700 0.044 0.000 1.279 285 E HN 0.970 nan 8.360 nan 0.000 0.438 286 G N 2.132 110.965 108.800 0.054 0.000 2.306 286 G HA2 -0.252 3.709 3.960 0.001 0.000 0.274 286 G HA3 -0.252 3.709 3.960 0.001 0.000 0.274 286 G C 0.160 175.101 174.900 0.068 0.000 0.890 286 G CA 0.733 45.868 45.100 0.059 0.000 1.298 286 G HN 0.390 nan 8.290 nan 0.000 0.445 287 L N -1.502 119.761 121.223 0.067 0.000 2.410 287 L HA 0.663 5.003 4.340 0.001 0.000 0.273 287 L C 0.428 177.337 176.870 0.066 0.000 1.144 287 L CA -0.308 54.574 54.840 0.070 0.000 0.863 287 L CB 0.761 42.859 42.059 0.065 0.000 1.140 287 L HN 0.102 nan 8.230 nan 0.000 0.463 288 K N 2.813 123.259 120.400 0.077 0.000 2.316 288 K HA 0.858 5.179 4.320 0.001 0.000 0.251 288 K C -0.116 176.462 176.600 -0.036 0.000 0.934 288 K CA -0.318 56.011 56.287 0.070 0.000 0.802 288 K CB 2.217 34.816 32.500 0.164 0.000 1.171 288 K HN 0.979 nan 8.250 nan 0.000 0.426 289 G N 1.411 110.078 108.800 -0.222 0.000 2.435 289 G HA2 0.310 4.271 3.960 0.001 0.000 0.228 289 G HA3 0.310 4.271 3.960 0.001 0.000 0.228 289 G C -1.754 172.776 174.900 -0.617 0.000 1.198 289 G CA -0.789 43.873 45.100 -0.731 0.000 0.948 289 G HN 0.617 nan 8.290 nan 0.000 0.487 290 R N -0.698 119.454 120.500 -0.580 0.000 2.774 290 R HA 0.625 4.966 4.340 0.001 0.000 0.272 290 R C -1.382 174.658 176.300 -0.433 0.000 1.000 290 R CA -0.990 54.840 56.100 -0.449 0.000 0.906 290 R CB 1.254 31.365 30.300 -0.315 0.000 1.227 290 R HN 0.496 nan 8.270 nan 0.000 0.468 291 H N 1.567 120.370 119.070 -0.444 0.000 2.646 291 H HA 0.275 4.832 4.556 0.001 0.000 0.325 291 H C -0.660 174.223 175.328 -0.742 0.000 1.075 291 H CA 0.134 55.616 56.048 -0.944 0.000 1.421 291 H CB 0.725 30.198 29.762 -0.482 0.000 1.461 291 H HN 0.670 nan 8.280 nan 0.000 0.525 292 Y N -0.125 119.686 120.300 -0.816 0.000 2.689 292 Y HA 0.607 5.157 4.550 0.001 0.000 0.333 292 Y C -1.177 174.429 175.900 -0.491 0.000 1.208 292 Y CA -1.367 56.313 58.100 -0.701 0.000 1.055 292 Y CB 1.686 39.986 38.460 -0.267 0.000 1.304 292 Y HN 0.519 nan 8.280 nan 0.000 0.455 293 R N 1.115 121.427 120.500 -0.314 0.000 2.548 293 R HA 0.634 4.975 4.340 0.001 0.000 0.280 293 R C -1.696 174.578 176.300 -0.043 0.000 1.061 293 R CA -0.427 55.612 56.100 -0.101 0.000 0.915 293 R CB 2.044 32.402 30.300 0.097 0.000 1.210 293 R HN 1.060 nan 8.270 nan 0.000 0.442 294 T N 0.111 114.643 114.554 -0.036 0.000 2.888 294 T HA 0.736 5.087 4.350 0.001 0.000 0.284 294 T C -0.391 174.244 174.700 -0.108 0.000 1.017 294 T CA -0.672 61.391 62.100 -0.062 0.000 1.022 294 T CB 1.685 70.538 68.868 -0.026 0.000 1.013 294 T HN 0.589 nan 8.240 nan 0.000 0.465 295 S N 0.397 116.020 115.700 -0.129 0.000 2.570 295 S HA 0.775 5.245 4.470 0.001 0.000 0.270 295 S C -1.301 173.132 174.600 -0.278 0.000 1.149 295 S CA -0.873 57.221 58.200 -0.177 0.000 0.837 295 S CB 1.717 64.875 63.200 -0.071 0.000 1.124 295 S HN 1.260 nan 8.310 nan 0.000 0.465 296 V N 1.467 121.144 119.914 -0.395 0.000 2.841 296 V HA 0.895 5.015 4.120 0.001 0.000 0.310 296 V C -1.023 174.861 176.094 -0.350 0.000 1.090 296 V CA -0.189 61.791 62.300 -0.533 0.000 0.930 296 V CB 1.725 32.879 31.823 -1.115 0.000 1.014 296 V HN 1.657 nan 8.190 nan 0.000 0.425 297 V N 4.001 123.736 119.914 -0.298 0.000 3.040 297 V HA 0.675 4.795 4.120 0.001 0.000 0.312 297 V C -0.417 175.731 176.094 0.090 0.000 1.115 297 V CA -1.108 61.115 62.300 -0.129 0.000 0.998 297 V CB 1.852 33.439 31.823 -0.394 0.000 1.042 297 V HN 0.873 nan 8.190 nan 0.000 0.433 298 L N 3.337 124.694 121.223 0.224 0.000 2.483 298 L HA 0.307 4.647 4.340 0.001 0.000 0.276 298 L C -1.181 175.725 176.870 0.061 0.000 1.213 298 L CA -1.025 53.947 54.840 0.220 0.000 0.843 298 L CB 1.147 43.261 42.059 0.091 0.000 1.107 298 L HN 0.610 nan 8.230 nan 0.000 0.487 299 P HA 0.065 nan 4.420 nan 0.000 0.253 299 P C 0.387 177.913 177.300 0.378 0.000 1.260 299 P CA 0.547 63.597 63.100 -0.082 0.000 0.800 299 P CB 0.544 31.944 31.700 -0.499 0.000 1.162 300 G N -0.798 108.223 108.800 0.369 0.000 2.511 300 G HA2 0.023 3.984 3.960 0.001 0.000 0.230 300 G HA3 0.023 3.984 3.960 0.001 0.000 0.230 300 G C -0.853 174.140 174.900 0.155 0.000 1.264 300 G CA -0.700 44.615 45.100 0.359 0.000 0.866 300 G HN 0.070 nan 8.290 nan 0.000 0.523 301 V N 1.067 120.903 119.914 -0.129 0.000 2.357 301 V HA 0.718 4.839 4.120 0.001 0.000 0.284 301 V C 0.394 176.287 176.094 -0.334 0.000 1.018 301 V CA -1.024 61.035 62.300 -0.402 0.000 0.841 301 V CB 1.576 33.053 31.823 -0.578 0.000 0.991 301 V HN 0.580 nan 8.190 nan 0.000 0.437 302 L N 5.462 126.547 121.223 -0.229 0.000 2.334 302 L HA 0.722 5.063 4.340 0.001 0.000 0.277 302 L C -0.308 176.508 176.870 -0.091 0.000 1.075 302 L CA 0.005 54.778 54.840 -0.112 0.000 0.804 302 L CB 1.310 43.421 42.059 0.086 0.000 1.174 302 L HN 0.828 nan 8.230 nan 0.000 0.438 303 M N 5.312 124.868 119.600 -0.073 0.000 2.263 303 M HA 0.565 5.046 4.480 0.001 0.000 0.295 303 M C -1.850 174.361 176.300 -0.148 0.000 1.028 303 M CA -0.593 54.668 55.300 -0.066 0.000 0.921 303 M CB 1.684 34.335 32.600 0.086 0.000 1.601 303 M HN 0.340 nan 8.290 nan 0.000 0.440 304 V N 4.553 124.318 119.914 -0.248 0.000 2.305 304 V HA 0.330 4.451 4.120 0.001 0.000 0.275 304 V C -0.382 175.572 176.094 -0.234 0.000 1.020 304 V CA -0.667 61.499 62.300 -0.224 0.000 0.811 304 V CB 0.957 32.595 31.823 -0.309 0.000 1.031 304 V HN 0.878 nan 8.190 nan 0.000 0.439 305 E N 3.098 123.148 120.200 -0.251 0.000 2.392 305 E HA 0.142 4.493 4.350 0.001 0.000 0.264 305 E C 0.643 176.938 176.600 -0.509 0.000 1.024 305 E CA 0.014 56.193 56.400 -0.369 0.000 0.903 305 E CB 0.137 29.595 29.700 -0.404 0.000 0.963 305 E HN 0.674 nan 8.360 nan 0.000 0.432 306 N N 1.550 119.979 118.700 -0.451 0.000 2.754 306 N HA -0.171 4.569 4.740 0.001 0.000 0.248 306 N C -1.933 173.469 175.510 -0.179 0.000 1.093 306 N CA 0.633 53.445 53.050 -0.397 0.000 0.699 306 N CB -0.460 37.596 38.487 -0.718 0.000 1.016 306 N HN 0.568 nan 8.380 nan 0.000 0.552 307 W N 0.248 121.345 121.300 -0.339 0.000 2.957 307 W HA 0.434 5.095 4.660 0.001 0.000 0.336 307 W C -2.399 173.938 176.519 -0.303 0.000 1.087 307 W CA -1.667 55.493 57.345 -0.310 0.000 1.235 307 W CB 1.673 30.925 29.460 -0.346 0.000 1.399 307 W HN -0.079 nan 8.180 nan 0.000 0.480 308 P HA 0.058 nan 4.420 nan 0.000 0.245 308 P C -0.373 176.563 177.300 -0.607 0.000 1.206 308 P CA 1.127 63.516 63.100 -1.185 0.000 0.781 308 P CB 1.254 32.339 31.700 -1.024 0.000 0.994 309 E N -0.590 119.400 120.200 -0.350 0.000 2.449 309 E HA 0.253 4.604 4.350 0.001 0.000 0.278 309 E C -0.685 175.836 176.600 -0.130 0.000 0.992 309 E CA -0.943 55.361 56.400 -0.160 0.000 0.807 309 E CB 1.461 31.161 29.700 -0.001 0.000 1.350 309 E HN -0.017 nan 8.360 nan 0.000 0.462 310 E N 0.568 120.710 120.200 -0.098 0.000 2.442 310 E HA -0.024 4.327 4.350 0.001 0.000 0.262 310 E C -0.517 175.988 176.600 -0.159 0.000 1.004 310 E CA 0.768 57.049 56.400 -0.199 0.000 0.928 310 E CB 0.079 29.631 29.700 -0.246 0.000 0.937 310 E HN 0.598 nan 8.360 nan 0.000 0.446 311 H N -2.015 117.043 119.070 -0.020 0.000 3.641 311 H HA -0.172 4.385 4.556 0.001 0.000 0.193 311 H C -0.592 174.680 175.328 -0.093 0.000 1.013 311 H CA 0.622 56.648 56.048 -0.037 0.000 1.212 311 H CB -1.174 28.572 29.762 -0.026 0.000 1.089 311 H HN 0.158 nan 8.280 nan 0.000 0.339 312 V N 0.651 120.535 119.914 -0.049 0.000 2.581 312 V HA 0.655 4.775 4.120 0.001 0.000 0.303 312 V C -0.130 175.880 176.094 -0.140 0.000 1.041 312 V CA -0.303 61.930 62.300 -0.112 0.000 0.907 312 V CB 2.123 33.846 31.823 -0.167 0.000 0.994 312 V HN 0.079 nan 8.190 nan 0.000 0.442 313 V N 3.935 123.763 119.914 -0.144 0.000 2.925 313 V HA 0.589 4.710 4.120 0.001 0.000 0.311 313 V C -0.922 175.000 176.094 -0.286 0.000 1.104 313 V CA -0.373 61.777 62.300 -0.250 0.000 0.954 313 V CB 2.113 33.721 31.823 -0.358 0.000 1.022 313 V HN 1.025 nan 8.190 nan 0.000 0.427 314 Q N 3.912 123.533 119.800 -0.298 0.000 2.293 314 Q HA 0.569 4.910 4.340 0.001 0.000 0.261 314 Q C -2.060 173.712 176.000 -0.380 0.000 0.960 314 Q CA -0.513 55.178 55.803 -0.187 0.000 0.882 314 Q CB 1.777 30.529 28.738 0.023 0.000 1.275 314 Q HN 0.791 nan 8.270 nan 0.000 0.445 315 Y N 1.477 121.786 120.300 0.016 0.000 2.446 315 Y HA 0.458 5.009 4.550 0.001 0.000 0.345 315 Y C -0.280 175.538 175.900 -0.135 0.000 0.984 315 Y CA -0.821 57.184 58.100 -0.159 0.000 1.058 315 Y CB 2.198 40.525 38.460 -0.222 0.000 1.220 315 Y HN 0.551 nan 8.280 nan 0.000 0.455 316 E N 2.299 122.405 120.200 -0.157 0.000 2.367 316 E HA 0.363 4.714 4.350 0.001 0.000 0.273 316 E C -1.552 174.799 176.600 -0.415 0.000 0.903 316 E CA -0.950 55.385 56.400 -0.109 0.000 0.764 316 E CB 2.772 32.472 29.700 -0.001 0.000 1.252 316 E HN 0.485 nan 8.360 nan 0.000 0.446 317 W N 0.853 121.963 121.300 -0.318 0.000 3.033 317 W HA 0.353 5.013 4.660 0.001 0.000 0.336 317 W C -1.120 175.139 176.519 -0.433 0.000 1.173 317 W CA -0.624 56.549 57.345 -0.286 0.000 1.185 317 W CB 1.671 30.999 29.460 -0.220 0.000 1.425 317 W HN 0.597 nan 8.180 nan 0.000 0.536 318 Y N 0.871 121.507 120.300 0.561 0.000 2.662 318 Y HA 0.283 4.834 4.550 0.001 0.000 0.358 318 Y C 0.218 176.364 175.900 0.411 0.000 1.041 318 Y CA -0.770 57.639 58.100 0.514 0.000 1.184 318 Y CB 0.221 38.909 38.460 0.380 0.000 1.114 318 Y HN -0.139 nan 8.280 nan 0.000 0.650 319 V N 5.109 125.249 119.914 0.376 0.000 2.446 319 V HA 0.136 4.257 4.120 0.001 0.000 0.276 319 V C -1.914 174.165 176.094 -0.025 0.000 1.030 319 V CA -1.748 60.592 62.300 0.068 0.000 1.033 319 V CB 0.305 32.092 31.823 -0.060 0.000 0.993 319 V HN 0.359 nan 8.190 nan 0.000 0.477 320 P HA 0.219 nan 4.420 nan 0.000 0.271 320 P C 0.499 177.713 177.300 -0.144 0.000 1.216 320 P CA 0.190 63.194 63.100 -0.160 0.000 0.771 320 P CB 1.464 32.901 31.700 -0.440 0.000 0.864 321 I N 1.193 121.737 120.570 -0.044 0.000 3.136 321 I HA 0.035 4.205 4.170 0.001 0.000 0.262 321 I C 1.450 177.565 176.117 -0.004 0.000 1.132 321 I CA 0.980 62.278 61.300 -0.003 0.000 1.450 321 I CB 0.036 38.057 38.000 0.035 0.000 1.315 321 I HN 0.425 nan 8.210 nan 0.000 0.460 322 T N -2.844 111.639 114.554 -0.119 0.000 2.591 322 T HA 0.169 4.519 4.350 0.001 0.000 0.274 322 T C 0.149 174.428 174.700 -0.702 0.000 0.945 322 T CA -0.259 61.587 62.100 -0.422 0.000 1.087 322 T CB 1.063 69.726 68.868 -0.342 0.000 1.416 322 T HN 0.164 nan 8.240 nan 0.000 0.514 323 D N -0.065 119.543 120.400 -1.320 0.000 2.355 323 D HA 0.028 4.668 4.640 0.001 0.000 0.218 323 D C 0.607 176.780 176.300 -0.212 0.000 1.004 323 D CA 0.578 54.055 54.000 -0.871 0.000 0.880 323 D CB -0.242 39.847 40.800 -1.186 0.000 0.911 323 D HN 0.722 nan 8.370 nan 0.000 0.528 324 D N -0.417 119.878 120.400 -0.175 0.000 2.582 324 D HA 0.046 4.687 4.640 0.001 0.000 0.246 324 D C -0.264 176.033 176.300 -0.004 0.000 1.334 324 D CA -0.281 53.695 54.000 -0.040 0.000 0.805 324 D CB -0.190 40.504 40.800 -0.177 0.000 1.087 324 D HN 0.102 nan 8.370 nan 0.000 0.499 325 T N -2.104 112.445 114.554 -0.008 0.000 2.900 325 T HA 0.624 4.974 4.350 0.001 0.000 0.303 325 T C -0.740 173.995 174.700 0.059 0.000 1.142 325 T CA -0.816 61.269 62.100 -0.024 0.000 1.007 325 T CB 2.511 71.322 68.868 -0.096 0.000 1.156 325 T HN 0.333 nan 8.240 nan 0.000 0.490 326 H N 0.107 119.132 119.070 -0.076 0.000 3.008 326 H HA 0.714 5.270 4.556 0.001 0.000 0.354 326 H C -1.649 173.631 175.328 -0.081 0.000 1.252 326 H CA -0.783 55.257 56.048 -0.015 0.000 1.117 326 H CB 1.885 31.737 29.762 0.150 0.000 1.857 326 H HN 0.662 nan 8.280 nan 0.000 0.547 327 E N 1.328 121.483 120.200 -0.074 0.000 2.092 327 E HA 0.184 4.535 4.350 0.001 0.000 0.271 327 E C -1.687 175.023 176.600 0.183 0.000 0.919 327 E CA -0.737 55.532 56.400 -0.219 0.000 0.760 327 E CB 0.315 29.632 29.700 -0.638 0.000 1.106 327 E HN 0.428 nan 8.360 nan 0.000 0.408 328 Y N 5.331 125.632 120.300 0.001 0.000 2.452 328 Y HA 0.374 4.925 4.550 0.001 0.000 0.348 328 Y C -1.372 174.597 175.900 0.116 0.000 0.985 328 Y CA -1.236 56.961 58.100 0.162 0.000 1.214 328 Y CB 0.142 38.702 38.460 0.166 0.000 1.136 328 Y HN 0.480 nan 8.280 nan 0.000 0.523 329 W N 5.299 126.522 121.300 -0.128 0.000 2.417 329 W HA 0.539 5.199 4.660 0.001 0.000 0.317 329 W C -0.617 175.750 176.519 -0.253 0.000 1.121 329 W CA -0.638 56.628 57.345 -0.133 0.000 1.208 329 W CB 1.113 30.609 29.460 0.059 0.000 1.253 329 W HN 0.464 nan 8.180 nan 0.000 0.533 330 E N 4.256 124.475 120.200 0.031 0.000 2.244 330 E HA 0.449 4.800 4.350 0.001 0.000 0.260 330 E C -0.807 175.960 176.600 0.278 0.000 0.884 330 E CA -0.704 55.722 56.400 0.043 0.000 0.777 330 E CB 1.604 31.216 29.700 -0.147 0.000 1.197 330 E HN 0.483 nan 8.360 nan 0.000 0.416 331 I N -0.329 120.464 120.570 0.371 0.000 2.828 331 I HA 0.595 4.765 4.170 0.001 0.000 0.302 331 I C -1.361 174.950 176.117 0.323 0.000 1.101 331 I CA -1.222 60.325 61.300 0.412 0.000 1.031 331 I CB 1.686 40.031 38.000 0.575 0.000 1.231 331 I HN 0.343 nan 8.210 nan 0.000 0.427 332 L N 5.071 126.473 121.223 0.299 0.000 2.341 332 L HA 0.724 5.065 4.340 0.001 0.000 0.278 332 L C -0.816 176.277 176.870 0.372 0.000 1.005 332 L CA -1.036 53.969 54.840 0.275 0.000 0.818 332 L CB 2.094 44.331 42.059 0.296 0.000 1.259 332 L HN 0.428 nan 8.230 nan 0.000 0.418 333 V N 3.206 123.275 119.914 0.258 0.000 2.604 333 V HA 0.640 4.761 4.120 0.001 0.000 0.305 333 V C -0.452 175.624 176.094 -0.031 0.000 1.043 333 V CA -0.685 61.743 62.300 0.213 0.000 0.888 333 V CB 2.241 34.239 31.823 0.292 0.000 0.995 333 V HN 0.771 nan 8.190 nan 0.000 0.429 334 R N 2.559 122.906 120.500 -0.254 0.000 2.535 334 R HA 0.616 4.956 4.340 0.001 0.000 0.274 334 R C -1.903 174.226 176.300 -0.285 0.000 1.090 334 R CA -0.508 55.324 56.100 -0.446 0.000 0.930 334 R CB 2.221 31.867 30.300 -1.089 0.000 1.223 334 R HN 0.517 nan 8.270 nan 0.000 0.441 335 V N 4.026 123.858 119.914 -0.137 0.000 2.508 335 V HA 0.179 4.300 4.120 0.001 0.000 0.281 335 V C -0.270 175.772 176.094 -0.086 0.000 1.041 335 V CA -0.101 62.159 62.300 -0.067 0.000 1.016 335 V CB 0.946 32.758 31.823 -0.018 0.000 0.984 335 V HN 0.744 nan 8.190 nan 0.000 0.478 336 C N 7.671 126.949 119.300 -0.037 0.000 2.362 336 C HA 0.344 4.805 4.460 0.001 0.000 0.309 336 C C -0.980 174.021 174.990 0.019 0.000 1.110 336 C CA -0.866 58.151 59.018 -0.001 0.000 1.485 336 C CB 0.780 28.557 27.740 0.062 0.000 1.949 336 C HN 0.707 nan 8.230 nan 0.000 0.419 337 P HA -0.079 nan 4.420 nan 0.000 0.216 337 P C 0.881 178.195 177.300 0.023 0.000 1.153 337 P CA 1.555 64.662 63.100 0.013 0.000 0.848 337 P CB 0.129 31.830 31.700 0.002 0.000 0.787 338 T N -4.775 109.795 114.554 0.027 0.000 2.949 338 T HA 0.257 4.607 4.350 0.001 0.000 0.287 338 T C 0.880 175.608 174.700 0.047 0.000 1.034 338 T CA -0.798 61.322 62.100 0.032 0.000 1.018 338 T CB 1.272 70.155 68.868 0.025 0.000 1.135 338 T HN -0.121 nan 8.240 nan 0.000 0.532 339 D N -0.319 120.108 120.400 0.045 0.000 2.178 339 D HA -0.140 4.501 4.640 0.001 0.000 0.201 339 D C 1.572 177.909 176.300 0.061 0.000 0.980 339 D CA 0.958 54.991 54.000 0.054 0.000 0.842 339 D CB 0.223 41.048 40.800 0.041 0.000 0.948 339 D HN 0.571 nan 8.370 nan 0.000 0.472 340 E N 0.669 120.899 120.200 0.049 0.000 2.072 340 E HA -0.130 4.221 4.350 0.001 0.000 0.191 340 E C 1.709 178.353 176.600 0.073 0.000 0.985 340 E CA 0.683 57.112 56.400 0.048 0.000 0.801 340 E CB -0.096 29.623 29.700 0.031 0.000 0.750 340 E HN 0.392 nan 8.360 nan 0.000 0.452 341 D N 0.365 120.809 120.400 0.074 0.000 2.123 341 D HA -0.154 4.486 4.640 0.001 0.000 0.196 341 D C 2.051 178.455 176.300 0.173 0.000 0.992 341 D CA 0.885 54.943 54.000 0.097 0.000 0.833 341 D CB -0.240 40.594 40.800 0.057 0.000 0.954 341 D HN 0.135 nan 8.370 nan 0.000 0.455 342 R N 0.646 121.248 120.500 0.169 0.000 2.096 342 R HA -0.056 4.284 4.340 0.001 0.000 0.235 342 R C 2.256 178.705 176.300 0.249 0.000 1.127 342 R CA 0.902 57.148 56.100 0.243 0.000 0.968 342 R CB -0.038 30.368 30.300 0.177 0.000 0.861 342 R HN 0.214 nan 8.270 nan 0.000 0.440 343 K N 0.559 121.059 120.400 0.167 0.000 2.097 343 K HA -0.070 4.250 4.320 0.001 0.000 0.205 343 K C 2.000 178.705 176.600 0.176 0.000 1.050 343 K CA 0.968 57.339 56.287 0.140 0.000 0.938 343 K CB 0.089 32.636 32.500 0.077 0.000 0.718 343 K HN 0.113 nan 8.250 nan 0.000 0.442 344 K N 0.277 120.788 120.400 0.185 0.000 2.057 344 K HA -0.121 4.199 4.320 0.001 0.000 0.206 344 K C 2.055 178.845 176.600 0.317 0.000 1.050 344 K CA 0.982 57.395 56.287 0.210 0.000 0.935 344 K CB -0.302 32.299 32.500 0.168 0.000 0.715 344 K HN 0.080 nan 8.250 nan 0.000 0.439 345 F N 3.063 123.121 119.950 0.179 0.000 2.113 345 F HA -0.192 4.336 4.527 0.001 0.000 0.297 345 F C 2.613 178.546 175.800 0.221 0.000 1.103 345 F CA 1.563 59.708 58.000 0.240 0.000 1.248 345 F CB -0.576 38.585 39.000 0.268 0.000 0.999 345 F HN -0.002 nan 8.300 nan 0.000 0.475 346 Q N -0.619 119.228 119.800 0.079 0.000 2.096 346 Q HA -0.275 4.065 4.340 0.001 0.000 0.204 346 Q C 2.142 178.057 176.000 -0.142 0.000 0.982 346 Q CA 2.192 57.854 55.803 -0.235 0.000 0.850 346 Q CB -1.047 27.669 28.738 -0.038 0.000 0.901 346 Q HN 0.579 nan 8.270 nan 0.000 0.422 347 Y N 0.233 120.488 120.300 -0.075 0.000 2.163 347 Y HA -0.087 4.464 4.550 0.001 0.000 0.288 347 Y C 2.351 178.201 175.900 -0.084 0.000 1.136 347 Y CA 2.018 60.098 58.100 -0.034 0.000 1.147 347 Y CB -0.155 38.329 38.460 0.040 0.000 0.987 347 Y HN 0.090 nan 8.280 nan 0.000 0.509 348 R N -1.144 119.329 120.500 -0.044 0.000 2.148 348 R HA -0.209 4.132 4.340 0.001 0.000 0.227 348 R C 2.114 178.059 176.300 -0.591 0.000 1.103 348 R CA 1.397 57.308 56.100 -0.314 0.000 0.983 348 R CB -0.595 29.549 30.300 -0.259 0.000 0.874 348 R HN 0.535 nan 8.270 nan 0.000 0.451 349 Y N 1.373 121.370 120.300 -0.505 0.000 2.133 349 Y HA -0.186 4.364 4.550 0.001 0.000 0.287 349 Y C 1.606 177.257 175.900 -0.414 0.000 1.134 349 Y CA 1.870 59.742 58.100 -0.379 0.000 1.133 349 Y CB -0.247 37.891 38.460 -0.536 0.000 0.987 349 Y HN 0.068 nan 8.280 nan 0.000 0.502 350 D N -0.830 119.201 120.400 -0.614 0.000 2.149 350 D HA -0.182 4.458 4.640 0.001 0.000 0.198 350 D C 1.395 177.134 176.300 -0.935 0.000 0.990 350 D CA 1.841 55.345 54.000 -0.828 0.000 0.839 350 D CB -0.311 39.944 40.800 -0.908 0.000 0.948 350 D HN 0.584 nan 8.370 nan 0.000 0.460 351 H N -1.884 116.876 119.070 -0.517 0.000 2.672 351 H HA 0.239 4.795 4.556 0.001 0.000 0.277 351 H C 1.358 176.468 175.328 -0.362 0.000 1.074 351 H CA -0.012 55.773 56.048 -0.438 0.000 1.173 351 H CB 1.077 30.515 29.762 -0.541 0.000 1.558 351 H HN 0.080 nan 8.280 nan 0.000 0.539 352 M N -0.803 118.593 119.600 -0.341 0.000 2.331 352 M HA 0.018 4.498 4.480 0.001 0.000 0.187 352 M C 1.075 177.268 176.300 -0.179 0.000 1.915 352 M CA 0.458 55.588 55.300 -0.284 0.000 1.082 352 M CB -0.498 31.850 32.600 -0.420 0.000 1.445 352 M HN -0.103 nan 8.290 nan 0.000 0.602 353 Y N 1.685 121.878 120.300 -0.178 0.000 2.097 353 Y HA -0.171 4.379 4.550 0.001 0.000 0.282 353 Y C 2.554 178.323 175.900 -0.217 0.000 1.152 353 Y CA 2.076 60.090 58.100 -0.142 0.000 1.136 353 Y CB -1.414 37.045 38.460 -0.002 0.000 0.975 353 Y HN 0.338 nan 8.280 nan 0.000 0.498 354 K N 0.221 120.401 120.400 -0.367 0.000 1.985 354 K HA -0.149 4.172 4.320 0.001 0.000 0.210 354 K C -0.681 175.873 176.600 -0.076 0.000 1.047 354 K CA 1.797 57.845 56.287 -0.397 0.000 0.932 354 K CB -1.131 30.876 32.500 -0.822 0.000 0.716 354 K HN 0.209 nan 8.250 nan 0.000 0.439 355 P HA -0.122 nan 4.420 nan 0.000 0.218 355 P C 1.371 178.710 177.300 0.065 0.000 1.152 355 P CA 1.333 64.438 63.100 0.009 0.000 0.826 355 P CB 0.087 31.746 31.700 -0.068 0.000 0.790 356 L N -1.807 119.438 121.223 0.037 0.000 2.416 356 L HA 0.064 4.405 4.340 0.001 0.000 0.216 356 L C 2.394 179.356 176.870 0.153 0.000 1.098 356 L CA 0.682 55.564 54.840 0.070 0.000 0.840 356 L CB -0.267 41.791 42.059 -0.001 0.000 0.981 356 L HN 0.053 nan 8.230 nan 0.000 0.462 357 C N -1.236 118.162 119.300 0.165 0.000 2.823 357 C HA 0.114 4.574 4.460 0.001 0.000 0.271 357 C C 2.382 177.557 174.990 0.308 0.000 1.880 357 C CA -0.447 58.722 59.018 0.252 0.000 1.844 357 C CB -0.439 27.396 27.740 0.158 0.000 1.511 357 C HN 0.262 nan 8.230 nan 0.000 0.770 358 L N 0.892 122.232 121.223 0.196 0.000 2.129 358 L HA -0.210 4.130 4.340 0.001 0.000 0.212 358 L C 2.492 179.393 176.870 0.053 0.000 1.087 358 L CA 1.569 56.480 54.840 0.120 0.000 0.757 358 L CB -0.735 41.335 42.059 0.017 0.000 0.896 358 L HN 0.612 nan 8.230 nan 0.000 0.434 359 H N -1.180 117.988 119.070 0.162 0.000 2.336 359 H HA 0.115 4.671 4.556 0.001 0.000 0.307 359 H C 2.130 177.572 175.328 0.189 0.000 1.056 359 H CA 1.058 57.195 56.048 0.148 0.000 1.471 359 H CB -0.516 29.289 29.762 0.071 0.000 1.502 359 H HN 0.151 nan 8.280 nan 0.000 0.630 360 G N 0.077 109.068 108.800 0.318 0.000 2.485 360 G HA2 -0.278 3.683 3.960 0.001 0.000 0.221 360 G HA3 -0.278 3.683 3.960 0.001 0.000 0.221 360 G C 1.513 176.615 174.900 0.337 0.000 1.115 360 G CA 1.023 46.281 45.100 0.262 0.000 0.751 360 G HN 0.323 nan 8.290 nan 0.000 0.567 361 F N 0.736 120.830 119.950 0.239 0.000 2.399 361 F HA 0.253 4.781 4.527 0.001 0.000 0.282 361 F C 2.289 178.312 175.800 0.372 0.000 1.027 361 F CA 0.767 58.941 58.000 0.290 0.000 1.333 361 F CB -0.062 39.096 39.000 0.263 0.000 1.132 361 F HN 0.102 nan 8.300 nan 0.000 0.590 362 N N 0.250 119.223 118.700 0.455 0.000 2.396 362 N HA -0.134 4.606 4.740 0.001 0.000 0.180 362 N C 0.971 176.662 175.510 0.301 0.000 1.028 362 N CA 0.903 54.181 53.050 0.380 0.000 0.893 362 N CB -0.111 38.651 38.487 0.458 0.000 0.967 362 N HN 0.179 nan 8.380 nan 0.000 0.440 363 D N 0.018 120.596 120.400 0.297 0.000 2.182 363 D HA -0.086 4.555 4.640 0.001 0.000 0.201 363 D C 1.648 178.116 176.300 0.280 0.000 0.986 363 D CA 0.914 55.084 54.000 0.284 0.000 0.847 363 D CB -0.189 40.809 40.800 0.330 0.000 0.942 363 D HN 0.110 nan 8.370 nan 0.000 0.467 364 S N 0.444 116.275 115.700 0.218 0.000 2.399 364 S HA -0.129 4.341 4.470 0.001 0.000 0.231 364 S C 1.370 176.012 174.600 0.069 0.000 1.022 364 S CA 0.778 59.062 58.200 0.139 0.000 0.983 364 S CB -0.070 63.054 63.200 -0.127 0.000 0.803 364 S HN 0.259 nan 8.310 nan 0.000 0.480 365 D N 1.258 121.679 120.400 0.036 0.000 2.178 365 D HA -0.030 4.610 4.640 0.001 0.000 0.201 365 D C 1.834 178.103 176.300 -0.050 0.000 0.980 365 D CA 0.458 54.445 54.000 -0.022 0.000 0.842 365 D CB -0.164 40.664 40.800 0.046 0.000 0.948 365 D HN 0.211 nan 8.370 nan 0.000 0.472 366 L N 0.185 121.386 121.223 -0.036 0.000 2.012 366 L HA -0.199 4.141 4.340 0.001 0.000 0.210 366 L C 2.223 178.990 176.870 -0.173 0.000 1.073 366 L CA 1.619 56.370 54.840 -0.147 0.000 0.748 366 L CB -1.370 40.544 42.059 -0.242 0.000 0.891 366 L HN 0.176 nan 8.230 nan 0.000 0.431 367 Y N -0.471 119.825 120.300 -0.007 0.000 2.314 367 Y HA -0.087 4.463 4.550 0.001 0.000 0.293 367 Y C 2.511 178.384 175.900 -0.045 0.000 1.129 367 Y CA 0.916 59.008 58.100 -0.014 0.000 1.201 367 Y CB -0.719 37.728 38.460 -0.021 0.000 0.999 367 Y HN 0.158 nan 8.280 nan 0.000 0.541 368 A N 0.692 123.550 122.820 0.063 0.000 1.877 368 A HA -0.196 4.125 4.320 0.001 0.000 0.216 368 A C 2.231 179.777 177.584 -0.063 0.000 1.186 368 A CA 1.657 53.674 52.037 -0.032 0.000 0.620 368 A CB -0.541 18.392 19.000 -0.113 0.000 0.822 368 A HN 0.401 nan 8.150 nan 0.000 0.443 369 R N -0.329 120.119 120.500 -0.087 0.000 2.073 369 R HA -0.127 4.214 4.340 0.001 0.000 0.234 369 R C 2.184 178.463 176.300 -0.036 0.000 1.134 369 R CA 1.628 57.668 56.100 -0.101 0.000 0.952 369 R CB -0.384 29.846 30.300 -0.118 0.000 0.850 369 R HN 0.661 nan 8.270 nan 0.000 0.433 370 E N 0.509 120.711 120.200 0.002 0.000 2.077 370 E HA -0.179 4.172 4.350 0.001 0.000 0.193 370 E C 2.043 178.669 176.600 0.043 0.000 0.989 370 E CA 1.101 57.526 56.400 0.043 0.000 0.800 370 E CB -0.117 29.614 29.700 0.052 0.000 0.746 370 E HN 0.382 nan 8.360 nan 0.000 0.452 371 A N 0.631 123.472 122.820 0.035 0.000 2.024 371 A HA -0.175 4.146 4.320 0.001 0.000 0.220 371 A C 2.043 179.646 177.584 0.032 0.000 1.164 371 A CA 1.280 53.334 52.037 0.029 0.000 0.643 371 A CB -0.323 18.687 19.000 0.016 0.000 0.806 371 A HN 0.178 nan 8.150 nan 0.000 0.451 372 M N -1.159 118.461 119.600 0.034 0.000 2.435 372 M HA -0.091 4.390 4.480 0.001 0.000 0.265 372 M C 2.151 178.575 176.300 0.205 0.000 1.104 372 M CA 0.528 55.889 55.300 0.102 0.000 1.140 372 M CB -0.098 32.521 32.600 0.031 0.000 1.372 372 M HN 0.382 nan 8.290 nan 0.000 0.456 373 Q N 0.706 120.580 119.800 0.124 0.000 2.096 373 Q HA -0.235 4.106 4.340 0.001 0.000 0.208 373 Q C 1.392 177.522 176.000 0.216 0.000 0.993 373 Q CA 1.910 57.806 55.803 0.157 0.000 0.862 373 Q CB -1.111 27.690 28.738 0.105 0.000 0.915 373 Q HN 0.679 nan 8.270 nan 0.000 0.416 374 N N -0.167 118.634 118.700 0.168 0.000 2.149 374 N HA -0.164 4.577 4.740 0.001 0.000 0.188 374 N C 1.569 177.192 175.510 0.188 0.000 1.019 374 N CA 0.747 53.892 53.050 0.159 0.000 0.857 374 N CB -0.244 38.308 38.487 0.108 0.000 0.997 374 N HN 0.098 nan 8.380 nan 0.000 0.426 375 F N 0.438 120.376 119.950 -0.020 0.000 2.234 375 F HA -0.113 4.414 4.527 0.001 0.000 0.299 375 F C 1.202 176.793 175.800 -0.348 0.000 1.087 375 F CA 1.185 59.061 58.000 -0.206 0.000 1.340 375 F CB -0.164 38.639 39.000 -0.328 0.000 1.031 375 F HN 0.062 nan 8.300 nan 0.000 0.500 376 Y N -2.891 117.318 120.300 -0.152 0.000 2.479 376 Y HA -0.026 4.524 4.550 0.001 0.000 0.283 376 Y C 2.177 178.056 175.900 -0.035 0.000 1.109 376 Y CA 0.835 58.724 58.100 -0.350 0.000 1.239 376 Y CB -1.076 37.052 38.460 -0.553 0.000 1.108 376 Y HN 0.057 nan 8.280 nan 0.000 0.548 377 Y N 2.199 122.586 120.300 0.145 0.000 2.114 377 Y HA -0.320 4.231 4.550 0.001 0.000 0.282 377 Y C 1.943 177.917 175.900 0.124 0.000 1.165 377 Y CA 2.061 60.248 58.100 0.144 0.000 1.148 377 Y CB -0.238 38.276 38.460 0.090 0.000 0.972 377 Y HN 0.306 nan 8.280 nan 0.000 0.504 378 D N -1.123 119.314 120.400 0.061 0.000 2.338 378 D HA 0.100 4.741 4.640 0.001 0.000 0.239 378 D C 1.663 177.940 176.300 -0.040 0.000 1.095 378 D CA 0.879 54.868 54.000 -0.017 0.000 0.888 378 D CB -0.366 40.478 40.800 0.073 0.000 0.899 378 D HN 0.533 nan 8.370 nan 0.000 0.525 379 G N -0.769 108.035 108.800 0.008 0.000 2.217 379 G HA2 -0.383 3.577 3.960 0.001 0.000 0.246 379 G HA3 -0.383 3.577 3.960 0.001 0.000 0.246 379 G C 1.283 176.166 174.900 -0.029 0.000 0.990 379 G CA 0.565 45.728 45.100 0.105 0.000 0.627 379 G HN 0.369 nan 8.290 nan 0.000 0.522 380 T N 0.874 115.303 114.554 -0.207 0.000 2.607 380 T HA -0.023 4.328 4.350 0.001 0.000 0.267 380 T C 2.552 176.793 174.700 -0.765 0.000 1.049 380 T CA 2.548 64.412 62.100 -0.392 0.000 1.162 380 T CB -0.850 67.783 68.868 -0.393 0.000 0.863 380 T HN 1.097 nan 8.240 nan 0.000 0.424 381 G N -0.135 107.802 108.800 -1.438 0.000 2.450 381 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 381 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 381 G C 1.203 175.524 174.900 -0.964 0.000 1.130 381 G CA 0.442 44.254 45.100 -2.148 0.000 0.760 381 G HN 0.619 nan 8.290 nan 0.000 0.557 382 W N 0.620 121.779 121.300 -0.235 0.000 2.468 382 W HA 0.117 4.778 4.660 0.001 0.000 0.262 382 W C 1.732 178.275 176.519 0.040 0.000 1.241 382 W CA 0.525 57.918 57.345 0.080 0.000 1.232 382 W CB 0.290 29.815 29.460 0.108 0.000 1.124 382 W HN 0.148 nan 8.180 nan 0.000 0.597 383 D N -1.488 118.950 120.400 0.064 0.000 2.597 383 D HA -0.060 4.580 4.640 0.001 0.000 0.261 383 D C 1.198 177.497 176.300 -0.002 0.000 1.023 383 D CA 0.937 54.967 54.000 0.051 0.000 0.927 383 D CB -0.504 40.306 40.800 0.017 0.000 1.168 383 D HN -0.050 nan 8.370 nan 0.000 0.491 384 D N 1.254 121.586 120.400 -0.114 0.000 2.339 384 D HA -0.004 4.637 4.640 0.001 0.000 0.217 384 D C 0.372 176.732 176.300 0.100 0.000 1.050 384 D CA 0.117 54.099 54.000 -0.029 0.000 0.856 384 D CB -0.034 40.743 40.800 -0.038 0.000 0.922 384 D HN 0.470 nan 8.370 nan 0.000 0.518 385 E N 0.818 121.051 120.200 0.054 0.000 2.415 385 E HA 0.014 4.364 4.350 0.001 0.000 0.262 385 E C -0.331 176.361 176.600 0.153 0.000 1.038 385 E CA 0.115 56.653 56.400 0.231 0.000 0.921 385 E CB 0.447 30.262 29.700 0.192 0.000 0.950 385 E HN 0.056 nan 8.360 nan 0.000 0.438 386 Q N 3.257 123.131 119.800 0.123 0.000 2.560 386 Q HA 0.290 4.631 4.340 0.001 0.000 0.238 386 Q C -0.497 175.549 176.000 0.076 0.000 1.079 386 Q CA -0.327 55.527 55.803 0.085 0.000 0.866 386 Q CB 0.889 29.660 28.738 0.054 0.000 1.153 386 Q HN 0.492 nan 8.270 nan 0.000 0.530 387 L N 1.669 122.949 121.223 0.096 0.000 2.453 387 L HA 0.442 4.783 4.340 0.001 0.000 0.261 387 L C 0.632 177.546 176.870 0.074 0.000 1.179 387 L CA -0.534 54.359 54.840 0.089 0.000 0.813 387 L CB 0.313 42.441 42.059 0.114 0.000 1.110 387 L HN 0.263 nan 8.230 nan 0.000 0.466 388 V N -1.500 118.455 119.914 0.067 0.000 3.139 388 V HA 0.624 4.744 4.120 0.001 0.000 0.310 388 V C 0.935 177.067 176.094 0.064 0.000 1.260 388 V CA -0.118 62.217 62.300 0.058 0.000 1.064 388 V CB 0.932 32.783 31.823 0.047 0.000 1.160 388 V HN 0.800 nan 8.190 nan 0.000 0.470 389 A N 0.416 123.267 122.820 0.052 0.000 1.903 389 A HA -0.190 4.130 4.320 0.001 0.000 0.219 389 A C 2.106 179.728 177.584 0.064 0.000 1.191 389 A CA 3.419 55.482 52.037 0.044 0.000 0.638 389 A CB -1.643 17.371 19.000 0.023 0.000 0.823 389 A HN 1.579 nan 8.150 nan 0.000 0.451 390 T N -2.716 111.892 114.554 0.090 0.000 3.072 390 T HA -0.051 4.300 4.350 0.001 0.000 0.266 390 T C 0.814 175.620 174.700 0.177 0.000 1.127 390 T CA 1.169 63.363 62.100 0.157 0.000 1.107 390 T CB -0.269 68.699 68.868 0.166 0.000 0.910 390 T HN 0.387 nan 8.240 nan 0.000 0.513 391 D N 0.671 121.146 120.400 0.126 0.000 2.336 391 D HA 0.138 4.779 4.640 0.001 0.000 0.229 391 D C 1.540 177.929 176.300 0.148 0.000 1.061 391 D CA -0.071 54.000 54.000 0.119 0.000 0.875 391 D CB -0.079 40.775 40.800 0.090 0.000 0.904 391 D HN 0.372 nan 8.370 nan 0.000 0.525 392 I N 0.121 120.789 120.570 0.163 0.000 2.454 392 I HA -0.215 3.956 4.170 0.001 0.000 0.254 392 I C 2.060 178.314 176.117 0.229 0.000 1.156 392 I CA 0.995 62.395 61.300 0.167 0.000 1.433 392 I CB -0.127 37.949 38.000 0.127 0.000 1.082 392 I HN -0.190 nan 8.210 nan 0.000 0.432 393 S N 1.075 116.951 115.700 0.293 0.000 2.344 393 S HA -0.023 4.448 4.470 0.001 0.000 0.217 393 S C -0.316 174.532 174.600 0.413 0.000 1.033 393 S CA 1.845 60.268 58.200 0.371 0.000 1.017 393 S CB -1.192 62.239 63.200 0.385 0.000 0.941 393 S HN 0.392 nan 8.310 nan 0.000 0.430 394 P HA -0.010 nan 4.420 nan 0.000 0.219 394 P C 1.443 178.858 177.300 0.192 0.000 1.150 394 P CA 1.003 64.294 63.100 0.318 0.000 0.814 394 P CB -0.222 31.509 31.700 0.052 0.000 0.787 395 I N -0.109 120.531 120.570 0.117 0.000 2.226 395 I HA -0.192 3.978 4.170 0.001 0.000 0.245 395 I C 2.280 178.452 176.117 0.091 0.000 1.100 395 I CA 1.679 63.011 61.300 0.053 0.000 1.374 395 I CB -1.207 36.886 38.000 0.155 0.000 1.057 395 I HN -0.011 nan 8.210 nan 0.000 0.413 396 T N 0.494 115.149 114.554 0.168 0.000 2.788 396 T HA -0.222 4.129 4.350 0.001 0.000 0.268 396 T C 1.522 176.321 174.700 0.164 0.000 1.044 396 T CA 1.359 63.561 62.100 0.169 0.000 1.139 396 T CB -0.347 68.637 68.868 0.194 0.000 0.867 396 T HN 0.587 nan 8.240 nan 0.000 0.454 397 W N 2.510 123.817 121.300 0.011 0.000 2.379 397 W HA -0.122 4.538 4.660 0.001 0.000 0.307 397 W C 1.994 178.444 176.519 -0.114 0.000 1.200 397 W CA 0.733 58.054 57.345 -0.040 0.000 1.297 397 W CB -0.343 29.115 29.460 -0.003 0.000 1.140 397 W HN 0.160 nan 8.180 nan 0.000 0.507 398 R N 0.593 120.733 120.500 -0.601 0.000 2.105 398 R HA -0.170 4.170 4.340 0.001 0.000 0.239 398 R C 2.374 178.418 176.300 -0.428 0.000 1.135 398 R CA 2.022 57.501 56.100 -1.035 0.000 0.967 398 R CB -0.389 29.195 30.300 -1.193 0.000 0.861 398 R HN 0.214 nan 8.270 nan 0.000 0.442 399 K N 0.590 120.909 120.400 -0.134 0.000 2.001 399 K HA -0.133 4.187 4.320 0.001 0.000 0.208 399 K C 2.184 178.778 176.600 -0.010 0.000 1.048 399 K CA 1.425 57.727 56.287 0.026 0.000 0.932 399 K CB -0.309 32.253 32.500 0.103 0.000 0.715 399 K HN 0.119 nan 8.250 nan 0.000 0.437 400 L N -0.502 120.719 121.223 -0.003 0.000 2.083 400 L HA 0.020 4.361 4.340 0.001 0.000 0.209 400 L C 2.266 179.134 176.870 -0.003 0.000 1.083 400 L CA 1.806 56.709 54.840 0.105 0.000 0.752 400 L CB -0.953 41.203 42.059 0.162 0.000 0.899 400 L HN -0.025 nan 8.230 nan 0.000 0.433 401 A N -0.022 122.607 122.820 -0.318 0.000 1.902 401 A HA -0.140 4.181 4.320 0.001 0.000 0.217 401 A C 2.420 179.817 177.584 -0.312 0.000 1.181 401 A CA 1.955 53.700 52.037 -0.486 0.000 0.623 401 A CB -1.060 17.463 19.000 -0.794 0.000 0.818 401 A HN 0.567 nan 8.150 nan 0.000 0.443 402 S N -0.541 115.094 115.700 -0.109 0.000 2.382 402 S HA -0.140 4.331 4.470 0.001 0.000 0.228 402 S C 2.065 176.608 174.600 -0.094 0.000 1.027 402 S CA 1.455 59.654 58.200 -0.002 0.000 0.991 402 S CB -0.254 62.994 63.200 0.081 0.000 0.823 402 S HN 0.608 nan 8.310 nan 0.000 0.469 403 R N -0.764 119.651 120.500 -0.142 0.000 2.093 403 R HA 0.021 4.362 4.340 0.001 0.000 0.224 403 R C 1.257 177.229 176.300 -0.546 0.000 1.101 403 R CA 1.107 57.004 56.100 -0.338 0.000 0.979 403 R CB -0.080 29.996 30.300 -0.372 0.000 0.877 403 R HN 0.454 nan 8.270 nan 0.000 0.441 404 W N 1.232 122.476 121.300 -0.093 0.000 3.127 404 W HA 0.130 4.791 4.660 0.001 0.000 0.344 404 W C 0.040 176.515 176.519 -0.073 0.000 1.151 404 W CA -0.901 56.407 57.345 -0.063 0.000 1.765 404 W CB -0.109 29.332 29.460 -0.031 0.000 1.085 404 W HN 0.060 nan 8.180 nan 0.000 0.596 405 N N 0.882 119.537 118.700 -0.075 0.000 2.441 405 N HA 0.006 4.747 4.740 0.001 0.000 0.251 405 N C 0.651 176.234 175.510 0.120 0.000 1.242 405 N CA 0.080 53.061 53.050 -0.114 0.000 0.898 405 N CB 0.560 38.537 38.487 -0.850 0.000 1.100 405 N HN 0.060 nan 8.380 nan 0.000 0.443 406 R N 0.622 121.271 120.500 0.248 0.000 2.356 406 R HA 0.275 4.616 4.340 0.001 0.000 0.234 406 R C 0.043 176.411 176.300 0.114 0.000 0.929 406 R CA 0.008 56.149 56.100 0.069 0.000 1.084 406 R CB -0.167 30.022 30.300 -0.184 0.000 1.105 406 R HN 0.803 nan 8.270 nan 0.000 0.515 407 G N 0.769 109.686 108.800 0.195 0.000 2.352 407 G HA2 0.121 4.081 3.960 0.001 0.000 0.303 407 G HA3 0.121 4.081 3.960 0.001 0.000 0.303 407 G C -1.360 173.719 174.900 0.298 0.000 1.593 407 G CA -1.002 44.214 45.100 0.193 0.000 0.963 407 G HN 0.037 nan 8.290 nan 0.000 0.685 408 I N 1.803 122.506 120.570 0.223 0.000 2.355 408 I HA 0.541 4.712 4.170 0.001 0.000 0.288 408 I C 1.029 177.205 176.117 0.099 0.000 0.999 408 I CA -0.767 60.655 61.300 0.203 0.000 1.163 408 I CB 1.714 39.811 38.000 0.161 0.000 1.316 408 I HN 0.837 nan 8.210 nan 0.000 0.454 409 A N 7.118 129.984 122.820 0.077 0.000 2.498 409 A HA 0.225 4.546 4.320 0.001 0.000 0.239 409 A C 0.131 177.695 177.584 -0.033 0.000 1.068 409 A CA 0.084 52.136 52.037 0.026 0.000 0.766 409 A CB 0.139 19.169 19.000 0.050 0.000 1.003 409 A HN 0.714 nan 8.150 nan 0.000 0.497 410 K N 2.167 122.489 120.400 -0.130 0.000 2.098 410 K HA 0.401 4.721 4.320 0.001 0.000 0.257 410 K C -2.489 173.750 176.600 -0.602 0.000 0.999 410 K CA -1.528 54.607 56.287 -0.253 0.000 0.924 410 K CB 0.345 32.732 32.500 -0.187 0.000 1.028 410 K HN 0.438 nan 8.250 nan 0.000 0.466 411 P HA -0.046 nan 4.420 nan 0.000 0.268 411 P C -0.364 176.258 177.300 -1.130 0.000 1.208 411 P CA -0.082 62.043 63.100 -1.625 0.000 0.777 411 P CB 0.434 31.669 31.700 -0.775 0.000 0.875 412 G N 2.382 110.359 108.800 -1.372 0.000 2.483 412 G HA2 0.344 4.305 3.960 0.001 0.000 0.248 412 G HA3 0.344 4.305 3.960 0.001 0.000 0.248 412 G C -0.468 174.266 174.900 -0.277 0.000 1.248 412 G CA -0.330 44.451 45.100 -0.531 0.000 0.838 412 G HN 0.299 nan 8.290 nan 0.000 0.566 413 R N 0.784 121.187 120.500 -0.162 0.000 2.514 413 R HA 0.477 4.818 4.340 0.001 0.000 0.296 413 R C 0.525 176.795 176.300 -0.050 0.000 1.012 413 R CA -0.341 55.704 56.100 -0.092 0.000 0.897 413 R CB 1.328 31.572 30.300 -0.094 0.000 1.184 413 R HN 1.358 nan 8.270 nan 0.000 0.440 414 G N 0.956 109.743 108.800 -0.023 0.000 2.198 414 G HA2 -0.279 3.681 3.960 0.001 0.000 0.260 414 G HA3 -0.279 3.681 3.960 0.001 0.000 0.260 414 G C 0.032 174.930 174.900 -0.003 0.000 1.025 414 G CA 0.675 45.769 45.100 -0.011 0.000 0.769 414 G HN 0.647 nan 8.290 nan 0.000 0.507 415 V N -4.353 115.565 119.914 0.006 0.000 3.167 415 V HA 0.974 5.094 4.120 0.001 0.000 0.310 415 V C 0.571 176.694 176.094 0.048 0.000 1.207 415 V CA -0.789 61.524 62.300 0.021 0.000 1.059 415 V CB 1.353 33.184 31.823 0.013 0.000 1.079 415 V HN 1.825 nan 8.190 nan 0.000 0.446 416 A N 0.345 123.197 122.820 0.054 0.000 2.511 416 A HA 0.572 4.893 4.320 0.001 0.000 0.242 416 A C 1.499 179.148 177.584 0.108 0.000 1.069 416 A CA 0.778 52.855 52.037 0.066 0.000 0.763 416 A CB -0.565 18.465 19.000 0.051 0.000 1.001 416 A HN 2.886 nan 8.150 nan 0.000 0.498 417 G N 0.657 109.527 108.800 0.116 0.000 2.195 417 G HA2 -0.047 3.914 3.960 0.001 0.000 0.246 417 G HA3 -0.047 3.914 3.960 0.001 0.000 0.246 417 G C 1.202 176.275 174.900 0.288 0.000 0.984 417 G CA 1.066 46.275 45.100 0.181 0.000 0.633 417 G HN 1.924 nan 8.290 nan 0.000 0.525 418 A N -0.705 122.234 122.820 0.197 0.000 1.930 418 A HA 0.515 4.835 4.320 0.001 0.000 0.217 418 A C 1.210 178.887 177.584 0.155 0.000 1.175 418 A CA 1.993 54.124 52.037 0.158 0.000 0.627 418 A CB 0.108 19.140 19.000 0.053 0.000 0.815 418 A HN 1.157 nan 8.150 nan 0.000 0.443 419 V N 0.032 120.017 119.914 0.119 0.000 2.487 419 V HA 0.225 4.346 4.120 0.001 0.000 0.298 419 V C 0.404 176.545 176.094 0.078 0.000 1.028 419 V CA -0.637 61.722 62.300 0.098 0.000 0.860 419 V CB 1.733 33.601 31.823 0.074 0.000 0.991 419 V HN 0.423 nan 8.190 nan 0.000 0.427 420 K N 1.700 122.141 120.400 0.069 0.000 2.361 420 K HA 0.055 4.375 4.320 0.001 0.000 0.196 420 K C 0.220 176.785 176.600 -0.058 0.000 1.039 420 K CA 0.677 56.970 56.287 0.010 0.000 1.001 420 K CB 0.253 32.759 32.500 0.009 0.000 0.795 420 K HN 0.856 nan 8.250 nan 0.000 0.495 421 D N 0.880 121.279 120.400 -0.002 0.000 2.891 421 D HA -0.023 4.617 4.640 0.001 0.000 0.312 421 D C 0.112 176.499 176.300 0.146 0.000 1.354 421 D CA -0.392 53.612 54.000 0.007 0.000 0.838 421 D CB -0.250 40.661 40.800 0.184 0.000 1.117 421 D HN -0.067 nan 8.370 nan 0.000 0.473 422 T N -2.724 111.871 114.554 0.067 0.000 2.813 422 T HA 0.175 4.526 4.350 0.001 0.000 0.297 422 T C 1.586 176.419 174.700 0.223 0.000 1.036 422 T CA 0.075 62.250 62.100 0.125 0.000 1.044 422 T CB 1.449 70.359 68.868 0.070 0.000 0.993 422 T HN 0.083 nan 8.240 nan 0.000 0.535 423 S N 1.268 117.092 115.700 0.206 0.000 2.423 423 S HA -0.056 4.415 4.470 0.001 0.000 0.231 423 S C 1.999 176.701 174.600 0.169 0.000 1.014 423 S CA 0.410 58.745 58.200 0.225 0.000 0.965 423 S CB -0.834 62.440 63.200 0.123 0.000 0.785 423 S HN 0.645 nan 8.310 nan 0.000 0.495 424 L N 0.576 121.862 121.223 0.105 0.000 2.056 424 L HA 0.025 4.366 4.340 0.001 0.000 0.207 424 L C 2.553 179.451 176.870 0.046 0.000 1.078 424 L CA 1.344 56.224 54.840 0.067 0.000 0.749 424 L CB -0.433 41.655 42.059 0.049 0.000 0.901 424 L HN 0.319 nan 8.230 nan 0.000 0.433 425 I N -1.294 119.279 120.570 0.005 0.000 2.315 425 I HA -0.297 3.873 4.170 0.001 0.000 0.248 425 I C 2.179 178.224 176.117 -0.119 0.000 1.117 425 I CA 1.388 62.633 61.300 -0.091 0.000 1.404 425 I CB -0.170 37.718 38.000 -0.187 0.000 1.071 425 I HN 0.107 nan 8.210 nan 0.000 0.419 426 F N 0.970 120.928 119.950 0.013 0.000 2.234 426 F HA -0.178 4.349 4.527 0.001 0.000 0.299 426 F C 2.577 178.380 175.800 0.005 0.000 1.087 426 F CA 1.223 59.227 58.000 0.007 0.000 1.340 426 F CB -0.212 38.793 39.000 0.007 0.000 1.031 426 F HN -0.058 nan 8.300 nan 0.000 0.500 427 K N 0.635 121.140 120.400 0.176 0.000 2.026 427 K HA -0.220 4.100 4.320 0.001 0.000 0.208 427 K C 1.897 178.534 176.600 0.063 0.000 1.048 427 K CA 1.702 58.050 56.287 0.102 0.000 0.929 427 K CB -0.233 32.311 32.500 0.074 0.000 0.713 427 K HN 0.321 nan 8.250 nan 0.000 0.439 428 Q N -0.194 119.630 119.800 0.041 0.000 2.084 428 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 428 Q C 2.058 178.067 176.000 0.014 0.000 0.978 428 Q CA 2.120 57.934 55.803 0.019 0.000 0.844 428 Q CB -0.104 28.637 28.738 0.005 0.000 0.898 428 Q HN 0.385 nan 8.270 nan 0.000 0.426 429 T N 1.005 115.564 114.554 0.009 0.000 2.746 429 T HA -0.140 4.211 4.350 0.001 0.000 0.267 429 T C 1.980 176.699 174.700 0.032 0.000 1.039 429 T CA 1.179 63.280 62.100 0.002 0.000 1.142 429 T CB -0.341 68.514 68.868 -0.021 0.000 0.866 429 T HN 0.395 nan 8.240 nan 0.000 0.444 430 A N 2.106 124.966 122.820 0.066 0.000 1.940 430 A HA -0.163 4.157 4.320 0.001 0.000 0.219 430 A C 1.922 179.524 177.584 0.031 0.000 1.176 430 A CA 1.712 53.784 52.037 0.058 0.000 0.631 430 A CB -0.611 18.431 19.000 0.070 0.000 0.814 430 A HN 0.341 nan 8.150 nan 0.000 0.446 431 D N -1.351 119.064 120.400 0.026 0.000 2.363 431 D HA 0.248 4.889 4.640 0.001 0.000 0.226 431 D C 1.353 177.657 176.300 0.007 0.000 1.020 431 D CA 1.178 55.187 54.000 0.014 0.000 0.892 431 D CB -0.092 40.716 40.800 0.013 0.000 0.900 431 D HN 0.657 nan 8.370 nan 0.000 0.531 432 G N 0.670 109.473 108.800 0.005 0.000 2.141 432 G HA2 -0.287 3.673 3.960 0.001 0.000 0.231 432 G HA3 -0.287 3.673 3.960 0.001 0.000 0.231 432 G C 0.191 175.087 174.900 -0.007 0.000 0.984 432 G CA -0.320 44.777 45.100 -0.005 0.000 0.660 432 G HN 0.310 nan 8.290 nan 0.000 0.525 433 K N 1.024 121.423 120.400 -0.002 0.000 2.248 433 K HA 0.486 4.807 4.320 0.001 0.000 0.281 433 K C 0.935 177.535 176.600 0.000 0.000 1.054 433 K CA -0.581 55.709 56.287 0.004 0.000 0.903 433 K CB 0.993 33.499 32.500 0.010 0.000 1.077 433 K HN 0.298 nan 8.250 nan 0.000 0.474 434 R N 2.399 122.907 120.500 0.013 0.000 2.637 434 R HA 0.198 4.539 4.340 0.001 0.000 0.269 434 R C -2.107 174.261 176.300 0.114 0.000 1.089 434 R CA -1.659 54.453 56.100 0.020 0.000 1.177 434 R CB -0.201 30.112 30.300 0.022 0.000 1.091 434 R HN 0.372 nan 8.270 nan 0.000 0.540 435 P HA 0.047 nan 4.420 nan 0.000 0.266 435 P C -0.443 176.978 177.300 0.201 0.000 1.195 435 P CA 0.208 63.421 63.100 0.188 0.000 0.768 435 P CB 0.835 32.682 31.700 0.245 0.000 0.838 436 G N 0.055 108.920 108.800 0.107 0.000 3.247 436 G HA2 0.352 4.313 3.960 0.001 0.000 0.226 436 G HA3 0.352 4.313 3.960 0.001 0.000 0.226 436 G C -1.136 173.840 174.900 0.128 0.000 1.220 436 G CA -0.056 45.102 45.100 0.098 0.000 0.875 436 G HN 0.464 nan 8.290 nan 0.000 0.606 437 Y N -0.316 119.969 120.300 -0.025 0.000 3.087 437 Y HA 0.445 4.996 4.550 0.001 0.000 0.227 437 Y C 0.596 176.485 175.900 -0.017 0.000 1.015 437 Y CA 0.184 58.264 58.100 -0.034 0.000 1.399 437 Y CB 0.323 38.756 38.460 -0.046 0.000 1.483 437 Y HN 0.236 nan 8.280 nan 0.000 0.420 438 K N 2.298 122.631 120.400 -0.111 0.000 2.297 438 K HA 0.400 4.721 4.320 0.001 0.000 0.286 438 K C -0.658 175.878 176.600 -0.108 0.000 1.053 438 K CA -0.446 55.716 56.287 -0.208 0.000 0.940 438 K CB 1.843 34.306 32.500 -0.060 0.000 1.019 438 K HN -0.038 nan 8.250 nan 0.000 0.475 439 V N 3.415 123.254 119.914 -0.125 0.000 2.529 439 V HA -0.051 4.070 4.120 0.001 0.000 0.292 439 V C 0.757 176.823 176.094 -0.046 0.000 1.028 439 V CA 0.103 62.364 62.300 -0.066 0.000 1.074 439 V CB 0.401 32.192 31.823 -0.054 0.000 0.958 439 V HN 0.740 nan 8.190 nan 0.000 0.481 440 E N 4.128 124.308 120.200 -0.032 0.000 2.360 440 E HA 0.130 4.480 4.350 0.001 0.000 0.269 440 E C -0.170 176.396 176.600 -0.057 0.000 1.022 440 E CA -0.218 56.160 56.400 -0.036 0.000 0.887 440 E CB 0.606 30.291 29.700 -0.026 0.000 0.990 440 E HN 0.669 nan 8.360 nan 0.000 0.426 441 Q N 3.020 122.778 119.800 -0.070 0.000 2.221 441 Q HA 0.522 4.863 4.340 0.001 0.000 0.242 441 Q C -0.008 175.907 176.000 -0.141 0.000 0.940 441 Q CA -0.561 55.176 55.803 -0.110 0.000 0.896 441 Q CB 1.455 30.133 28.738 -0.100 0.000 1.226 441 Q HN 0.561 nan 8.270 nan 0.000 0.463 442 I N 0.000 120.435 120.570 -0.225 0.000 2.984 442 I HA 0.000 4.171 4.170 0.001 0.000 0.288 442 I CA 0.000 61.141 61.300 -0.264 0.000 1.566 442 I CB 0.000 37.899 38.000 -0.168 0.000 1.214 442 I HN 0.000 nan 8.210 nan 0.000 0.494